methyl 2'-[4,5-bis(phenylcarbonyl)-1,3-dithiol-2-ylidene]-1'-ethyl-5,6',7'-tris(phenylcarbonyl)-3'-sulfanylidene-spiro[1,3-dithiole-2,8'-thiopyrano[2,3-b][1,4]thiazine]-4-carboxylate

Systemtic Name: methyl 2'-[4,5-bis(phenylcarbonyl)-1,3-dithiol-2-ylidene]-1'-ethyl-5,6',7'-tris(phenylcarbonyl)-3'-sulfanylidene-spiro[1,3-dithiole-2,8'-thiopyrano[2,3-b][1,4]thiazine]-4-carboxylate Openeye Name: methyl 5,6',7'-tribenzoyl-2'-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1'-ethyl-3'-thioxo-spiro[1,3-dithiole-2,8'-thiopyrano[2,3-b][1,4]thiazine]-4-carboxylate CAS Name: 5,6',7'-tribenzoyl-2'-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1'-ethyl-3'-sulfanylidene-4-spiro[1,3-dithiole-2,8'-thiopyrano[2,3-b][1,4]thiazine]carboxylic acid methyl ester IUPAC Name: methyl 5,6',7'-tribenzoyl-2'-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1'-ethyl-3'-sulfanylidenespiro[1,3-dithiole-2,8'-thiopyrano[2,3-b][1,4]thiazine]-4-carboxylate Traditional Name: 5,6',7'-tribenzoyl-2'-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1'-ethyl-3'-thioxo-spiro[1,3-dithiole-2,8'-thiopyrano[2,3-b][1,4]thiazine]-4-carboxylic acid methyl ester Formula: C51H33NO7S7 MolecularWeight: 996.26522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2SC(=C(S2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=S)SC5=C1C6(C(=C(S5)C(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)SC(=C(S6)C(=O)OC)C(=O)C9=CC=CC=C9

Isomeric SMILES

CCN1C(=C2SC(=C(S2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=S)SC5=C1C6(C(=C(S5)C(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8)SC(=C(S6)C(=O)OC)C(=O)C9=CC=CC=C9

InChI

InChI=1S/C51H33NO7S7/c1-3-52-35(49-62-42(38(55)31-23-13-6-14-24-31)43(63-49)39(56)32-25-15-7-16-26-32)48(60)64-50-46(52)51(65-44(45(66-51)47(58)59-2)40(57)33-27-17-8-18-28-33)34(36(53)29-19-9-4-10-20-29)41(61-50)37(54)30-21-11-5-12-22-30/h4-28H,3H2,1-2H3