6-[(2R)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(2R)-2-(3,4-dimethoxyphenyl)-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=C(C=C(C=C1)C2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2)OC

InChI

InChI=1S/C23H21NO3S/c1-26-20-12-11-15(13-21(20)27-2)23-14-18(16-7-3-5-9-19(16)25)24-17-8-4-6-10-22(17)28-23/h3-13,23-24H,14H2,1-2H3/t23-/m1/s1