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

Systemtic Name: 4-[2-(2-hydroxyphenyl)-3-[[(4-methoxyphenyl)amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(2-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(2-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(2-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(2-hydroxyphenyl)-3-(p-anisidinomethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C29H26N2O3S MolecularWeight: 482.59334

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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=C5O

Isomeric SMILES

COC1=CC=C(C=C1)NCC2C(SC3=CC=CC=C3NC2=C4C=CC(=O)C=C4)C5=CC=CC=C5O

InChI

InChI=1S/C29H26N2O3S/c1-34-22-16-12-20(13-17-22)30-18-24-28(19-10-14-21(32)15-11-19)31-25-7-3-5-9-27(25)35-29(24)23-6-2-4-8-26(23)33/h2-17,24,29-31,33H,18H2,1H3