[1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S/c1-18(15-16-20-10-5-3-6-11-20)27-23(28)19(2)30-25(29)22-14-9-17-26-24(22)31-21-12-7-4-8-13-21/h3-14,17-19H,15-16H2,1-2H3,(H,27,28)