diethyl 3-methyl-5-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O6S2/c1-4-29-21(27)18-13(3)19(22(28)30-5-2)32-20(18)23-16(25)12-24-14-8-6-7-9-15(14)31-11-10-17(24)26/h6-9H,4-5,10-12H2,1-3H3,(H,23,25)