methyl 6-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-(2-anilino-2-oxo-ethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-(2-anilino-2-oxoethyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-anilino-2-oxoethyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(2-anilino-2-keto-ethyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O4S/c1-29-23(28)15-11-12-20-18(13-15)25(14-21(26)24-16-7-3-2-4-8-16)22(27)17-9-5-6-10-19(17)30-20/h2-13H,14H2,1H3,(H,24,26)