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

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=NC=C(C=C1)Cl)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=NC=C(C=C1)Cl)C2=CC=CS2

InChI

InChI=1S/C16H16ClN3O4S/c1-10(21)19-12(13-3-2-6-25-13)7-16(23)24-9-15(22)20-14-5-4-11(17)8-18-14/h2-6,8,12H,7,9H2,1H3,(H,19,21)(H,18,20,22)