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

Systemtic Name: 4-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C4S2

Isomeric SMILES

COC1=CC=CC(=C1)C2CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C4S2

InChI

InChI=1S/C22H19NO2S/c1-25-18-6-4-5-16(13-18)22-14-20(15-9-11-17(24)12-10-15)23-19-7-2-3-8-21(19)26-22/h2-13,22-23H,14H2,1H3