3-methoxy-6-[(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-methoxy-6-[(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2S)-2-(3-hydroxy-4-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(2S)-2-(3-hydroxy-4-methoxy-phenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)O)C=C1

Isomeric SMILES

COC1=CC(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)O)C=C1

InChI

InChI=1S/C23H21NO4S/c1-27-15-8-9-16(19(25)12-15)18-13-23(14-7-10-21(28-2)20(26)11-14)29-22-6-4-3-5-17(22)24-18/h3-12,23-24,26H,13H2,1-2H3/t23-/m0/s1