2-[4-[[2-methyl-3-methylsulfanyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-methyl-3-methylsulfanyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-methyl-3-methylsulfanyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-methyl-3-(methylthio)-5-[oxo-(1-phenylpropylamino)methyl]-1-indolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-methyl-3-methylsulfanyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-methyl-3-(methylthio)-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Formula: C34H32N2O3S MolecularWeight: 548.69448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3SC)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3SC)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C34H32N2O3S/c1-4-30(25-10-6-5-7-11-25)35-33(37)26-18-19-31-29(20-26)32(40-3)22(2)36(31)21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(38)39/h5-20,30H,4,21H2,1-3H3,(H,35,37)(H,38,39)