(phenylmethyl) 5-methyl-2-(octylamino)-4-oxidanylidene-thieno[2,3-d][1,3]thiazine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-2-(octylamino)-4-oxidanylidene-thieno[2,3-d][1,3]thiazine-6-carboxylate Openeye Name: benzyl 5-methyl-2-(octylamino)-4-oxo-thieno[2,3-d][1,3]thiazine-6-carboxylate CAS Name: 5-methyl-2-(octylamino)-4-oxo-6-thieno[2,3-d][1,3]thiazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-(octylamino)-4-oxothieno[2,3-d][1,3]thiazine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(octylamino)thieno[2,3-d][1,3]thiazine-6-carboxylic acid benzyl ester Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)S1

Isomeric SMILES

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)OCC3=CC=CC=C3)C)C(=O)S1

InChI

InChI=1S/C23H28N2O3S2/c1-3-4-5-6-7-11-14-24-23-25-20-18(22(27)30-23)16(2)19(29-20)21(26)28-15-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,24,25)