N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2CC2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2CC2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22N2O3S/c1-26-16-7-4-14(5-8-16)20(13-2-3-13)23-21(25)15-6-9-18-17(12-15)22-19(24)10-11-27-18/h4-9,12-13,20H,2-3,10-11H2,1H3,(H,22,24)(H,23,25)