5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-5-[(4-ethoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-benzyl-5-[(4-ethoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-5-(4-ethoxybenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H26N2O3S/c1-2-35-24-15-12-22(13-16-24)20-32-26-18-23(29(33)31-19-21-8-4-3-5-9-21)14-17-28(26)36-27-11-7-6-10-25(27)30(32)34/h3-18H,2,19-20H2,1H3,(H,31,33)