[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18ClN3O4S/c22-15-8-9-18(23-12-15)25-19(26)13-29-21(28)16(11-14-5-2-1-3-6-14)24-20(27)17-7-4-10-30-17/h1-10,12,16H,11,13H2,(H,24,27)(H,23,25,26)