ethyl 3-[[5-oxidanylidene-1-[3-[(phenylmethyl)carbamothioylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[5-oxidanylidene-1-[3-[(phenylmethyl)carbamothioylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[1-[3-(benzylcarbamothioylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[oxo-[5-oxo-1-[3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[3-(benzylcarbamothioylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[1-[3-(benzylthiocarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C29H31N5O4S MolecularWeight: 545.65254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C29H31N5O4S/c1-2-38-27(36)16-25(21-10-7-13-30-18-21)33-28(37)22-14-26(35)34(19-22)24-12-6-11-23(15-24)32-29(39)31-17-20-8-4-3-5-9-20/h3-13,15,18,22,25H,2,14,16-17,19H2,1H3,(H,33,37)(H2,31,32,39)