methyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H29N3O7S2 MolecularWeight: 559.65436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O7S2/c1-3-36-23(30)17-29-21-13-10-19(25(32)35-2)16-22(21)37-26(29)27-24(31)18-8-11-20(12-9-18)38(33,34)28-14-6-4-5-7-15-28/h8-13,16H,3-7,14-15,17H2,1-2H3