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

Systemtic Name: 4-[3-[[(4-chlorophenyl)amino]methyl]-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[(4-chloroanilino)methyl]-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(4-chloroanilino)methyl]-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[(4-chloroanilino)methyl]-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(4-chloroanilino)methyl]-2-(4-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H23ClN2O2S MolecularWeight: 487.01242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=O)C=C3)C(C(S2)C4=CC=C(C=C4)O)CNC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC(=O)C=C3)C(C(S2)C4=CC=C(C=C4)O)CNC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H23ClN2O2S/c29-20-9-11-21(12-10-20)30-17-24-27(18-5-13-22(32)14-6-18)31-25-3-1-2-4-26(25)34-28(24)19-7-15-23(33)16-8-19/h1-16,24,28,30-31,33H,17H2