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

Systemtic Name: (6Z)-3-methoxy-6-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-3-methoxy-6-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-3-methoxy-6-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-3-methoxy-6-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-3-methoxy-6-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=O)/C(=C\2/CC(SC3=CC=CC=C3N2)C4=CC(=CC=C4)OC)/C=C1

InChI

InChI=1S/C23H21NO3S/c1-26-16-7-5-6-15(12-16)23-14-20(18-11-10-17(27-2)13-21(18)25)24-19-8-3-4-9-22(19)28-23/h3-13,23-24H,14H2,1-2H3/b20-18-