3-[4-[2-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfanyl]-2-methyl-phenyl]propanoate

Systemtic Name: 3-[4-[2-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethylsulfanyl]-2-methyl-phenyl]propanoate Openeye Name: 3-[4-[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)ethylsulfanyl]-2-methyl-phenyl]propanoate CAS Name: 3-[4-[2-[5-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]ethylthio]-2-methylphenyl]propanoate IUPAC Name: 3-[4-[2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)ethylsulfanyl]-2-methylphenyl]propanoate Traditional Name: 3-[4-[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)ethylthio]-2-methyl-phenyl]propionate Formula: C34H31ClNO2S- MolecularWeight: 553.13344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCC2=C(N(C3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5)C)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SCCC2=C(N(C3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5)C)CCC(=O)[O-]

InChI

InChI=1S/C34H32ClNO2S/c1-23-21-29(16-13-25(23)14-18-33(37)38)39-20-19-30-24(2)36(32-17-15-28(35)22-31(30)32)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,15-17,21-22,34H,14,18-20H2,1-2H3,(H,37,38)/p-1