ethyl 2-[1-(diphenylmethyl)-4-[2-[(5-oxidanyl-1H-indol-2-yl)carbonylamino]propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[1-(diphenylmethyl)-4-[2-[(5-oxidanyl-1H-indol-2-yl)carbonylamino]propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[1-benzhydryl-4-[2-[(5-hydroxy-1H-indole-2-carbonyl)amino]propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[1-(diphenylmethyl)-4-[2-[[(5-hydroxy-1H-indol-2-yl)-oxomethyl]amino]-1-oxopropyl]-2-piperazinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-benzhydryl-4-[2-[(5-hydroxy-1H-indole-2-carbonyl)amino]propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[1-benzhydryl-4-[2-[(5-hydroxy-1H-indole-2-carbonyl)amino]propanoyl]piperazin-2-yl]thio]nicotinic acid ethyl ester Formula: C37H37N5O5S MolecularWeight: 663.78518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCN2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(C)NC(=O)C5=CC6=C(N5)C=CC(=C6)O

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCN2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(C)NC(=O)C5=CC6=C(N5)C=CC(=C6)O

InChI

InChI=1S/C37H37N5O5S/c1-3-47-37(46)29-15-10-18-38-35(29)48-32-23-41(19-20-42(32)33(25-11-6-4-7-12-25)26-13-8-5-9-14-26)36(45)24(2)39-34(44)31-22-27-21-28(43)16-17-30(27)40-31/h4-18,21-22,24,32-33,40,43H,3,19-20,23H2,1-2H3,(H,39,44)