4-[3-[[(4-chlorophenyl)amino]methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-[[(4-chlorophenyl)amino]methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[(4-chloroanilino)methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(4-chloroanilino)methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[(4-chloroanilino)methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(4-chloroanilino)methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C29H25ClN2O2S MolecularWeight: 501.039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(=C3C=CC(=O)C=C3)NC4=CC=CC=C4S2)CNC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(=C3C=CC(=O)C=C3)NC4=CC=CC=C4S2)CNC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H25ClN2O2S/c1-34-24-6-4-5-20(17-24)29-25(18-31-22-13-11-21(30)12-14-22)28(19-9-15-23(33)16-10-19)32-26-7-2-3-8-27(26)35-29/h2-17,25,29,31-32H,18H2,1H3