ethyl 2-[4-(diphenylmethyl)-1-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[4-(diphenylmethyl)-1-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[[4-benzhydryl-1-[2-(1H-indole-2-carbonylamino)propanoyl]-3-piperidyl]sulfanyl]pyridine-3-carboxylate CAS Name: 2-[[4-(diphenylmethyl)-1-[2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopropyl]-3-piperidinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-benzhydryl-1-[2-(1H-indole-2-carbonylamino)propanoyl]piperidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[4-benzhydryl-1-[2-(1H-indole-2-carbonylamino)propanoyl]-3-piperidyl]thio]nicotinic acid ethyl ester Formula: C38H38N4O4S MolecularWeight: 646.79772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCC2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(C)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCC2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(C)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C38H38N4O4S/c1-3-46-38(45)30-18-12-21-39-36(30)47-33-24-42(37(44)25(2)40-35(43)32-23-28-17-10-11-19-31(28)41-32)22-20-29(33)34(26-13-6-4-7-14-26)27-15-8-5-9-16-27/h4-19,21,23,25,29,33-34,41H,3,20,22,24H2,1-2H3,(H,40,43)