methyl 1-[2-methyl-3-methylsulfanyl-1-(phenylmethyl)indol-5-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-[2-methyl-3-methylsulfanyl-1-(phenylmethyl)indol-5-yl]carbonylpiperidine-2-carboxylate Openeye Name: methyl 1-(1-benzyl-2-methyl-3-methylsulfanyl-indole-5-carbonyl)piperidine-2-carboxylate CAS Name: 1-[[2-methyl-3-(methylthio)-1-(phenylmethyl)-5-indolyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzyl-2-methyl-3-methylsulfanylindole-5-carbonyl)piperidine-2-carboxylate Traditional Name: 1-[1-benzyl-2-methyl-3-(methylthio)indole-5-carbonyl]pipecolinic acid methyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=O)N4CCCCC4C(=O)OC)SC

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=O)N4CCCCC4C(=O)OC)SC

InChI

InChI=1S/C25H28N2O3S/c1-17-23(31-3)20-15-19(24(28)26-14-8-7-11-22(26)25(29)30-2)12-13-21(20)27(17)16-18-9-5-4-6-10-18/h4-6,9-10,12-13,15,22H,7-8,11,14,16H2,1-3H3