2-chloranyl-N-[[(4Z)-4-indol-3-ylidene-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline

Systemtic Name: 2-chloranyl-N-[[(4Z)-4-indol-3-ylidene-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline Openeye Name: 2-chloro-N-[[(4Z)-4-indol-3-ylidene-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline CAS Name: 2-chloro-N-[[(4Z)-4-(3-indolylidene)-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline IUPAC Name: 2-chloro-N-[[(4Z)-4-indol-3-ylidene-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]aniline Traditional Name: (2-chlorophenyl)-[[(4Z)-4-indol-3-ylidene-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]methyl]amine Formula: C31H26ClN3OS MolecularWeight: 524.07564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=C3C=NC4=CC=CC=C43)NC5=CC=CC=C5S2)CNC6=CC=CC=C6Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(/C(=C\3/C=NC4=CC=CC=C43)/NC5=CC=CC=C5S2)CNC6=CC=CC=C6Cl

InChI

InChI=1S/C31H26ClN3OS/c1-36-21-16-14-20(15-17-21)31-24(19-34-27-11-5-3-9-25(27)32)30(35-28-12-6-7-13-29(28)37-31)23-18-33-26-10-4-2-8-22(23)26/h2-18,24,31,34-35H,19H2,1H3/b30-23+