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

Systemtic Name: 4-[2-(3-methoxyphenyl)-3-[[(4-methoxyphenyl)amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[(4-methoxyanilino)methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(4-methoxyanilino)methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[(4-methoxyanilino)methyl]-2-(3-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(3-methoxyphenyl)-3-(p-anisidinomethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C30H28N2O3S MolecularWeight: 496.61992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2C(SC3=CC=CC=C3NC2=C4C=CC(=O)C=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)NCC2C(SC3=CC=CC=C3NC2=C4C=CC(=O)C=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C30H28N2O3S/c1-34-24-16-12-22(13-17-24)31-19-26-29(20-10-14-23(33)15-11-20)32-27-8-3-4-9-28(27)36-30(26)21-6-5-7-25(18-21)35-2/h3-18,26,30-32H,19H2,1-2H3