[(2S)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(2S)-1-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C22H19ClN2O5S/c1-3-29-22(28)17-16(14-8-5-4-6-9-14)12-31-20(17)25-19(26)13(2)30-21(27)15-10-7-11-24-18(15)23/h4-13H,3H2,1-2H3,(H,25,26)/t13-/m0/s1