[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N3O4S/c1-16-6-4-10-27(14-16)22(28)15-31-24(30)20(26-23(29)21-9-5-11-32-21)12-17-13-25-19-8-3-2-7-18(17)19/h2-3,5,7-9,11,13,16,20,25H,4,6,10,12,14-15H2,1H3,(H,26,29)