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

Systemtic Name: 6-[(2S)-2-(3-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2S)-2-(3-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(2S)-2-(3-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2S)-2-(3-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(2S)-2-(3-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO3S/c1-26-16-9-10-17(20(25)12-16)19-13-22(14-5-4-6-15(24)11-14)27-21-8-3-2-7-18(21)23-19/h2-12,22-24H,13H2,1H3/t22-/m0/s1