ethyl 1-[3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(1H-indol-3-yl)-2-[[[4-(methylthio)anilino]-oxomethyl]amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1H-indol-3-yl)-2-[[4-(methylthio)phenyl]carbamoylamino]propanoyl]nipecotic acid ethyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C27H32N4O4S/c1-3-35-26(33)18-7-6-14-31(17-18)25(32)24(15-19-16-28-23-9-5-4-8-22(19)23)30-27(34)29-20-10-12-21(36-2)13-11-20/h4-5,8-13,16,18,24,28H,3,6-7,14-15,17H2,1-2H3,(H2,29,30,34)