4-[9-chloranyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[9-chloranyl-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[9-chloro-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[9-chloro-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[9-chloro-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[9-chloro-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H18ClNO2S MolecularWeight: 395.90182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=C3C=CC(=O)C=C3)NC4=C(S2)C(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=C3C=CC(=O)C=C3)NC4=C(S2)C(=CC=C4)Cl

InChI

InChI=1S/C22H18ClNO2S/c1-26-17-11-7-15(8-12-17)21-13-20(14-5-9-16(25)10-6-14)24-19-4-2-3-18(23)22(19)27-21/h2-12,21,24H,13H2,1H3