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

Systemtic Name: 3-methoxy-6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-methoxy-6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 3-methoxy-6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-methoxy-6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-methoxy-6-[(2S)-2-(2-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=C4OC)C=C1

Isomeric SMILES

COC1=CC(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC=CC=C4OC)C=C1

InChI

InChI=1S/C23H21NO3S/c1-26-15-11-12-16(20(25)13-15)19-14-23(17-7-3-5-9-21(17)27-2)28-22-10-6-4-8-18(22)24-19/h3-13,23-24H,14H2,1-2H3/t23-/m0/s1