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

Systemtic Name: 3-methoxy-6-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-methoxy-6-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 3-methoxy-6-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-methoxy-6-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-methoxy-6-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO2S/c1-25-16-11-12-17(20(24)13-16)19-14-22(15-7-3-2-4-8-15)26-21-10-6-5-9-18(21)23-19/h2-13,22-23H,14H2,1H3/t22-/m0/s1