[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H16ClNO4S MolecularWeight: 317.78844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CCC(=O)C1=CC=C(S1)Cl

Isomeric SMILES

CC(C)NC(=O)COC(=O)CCC(=O)C1=CC=C(S1)Cl

InChI

InChI=1S/C13H16ClNO4S/c1-8(2)15-12(17)7-19-13(18)6-3-9(16)10-4-5-11(14)20-10/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)