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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2

InChI

InChI=1S/C24H23NO4S/c1-27-20-12-15(13-21(28-2)24(20)29-3)23-14-18(16-8-4-6-10-19(16)26)25-17-9-5-7-11-22(17)30-23/h4-13,23,25H,14H2,1-3H3/t23-/m1/s1