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

Systemtic Name: 6-[(2S)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2S)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(2S)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2S)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(2S)-2-(3,4-dimethoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO4S/c1-27-16-9-10-17(20(26)13-16)19-14-24(30-23-7-5-4-6-18(23)25-19)15-8-11-21(28-2)22(12-15)29-3/h4-13,24-25H,14H2,1-3H3/t24-/m0/s1