[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-11(18(24)21-13-4-2-3-12(9-13)10-20)25-17(23)8-5-14(22)15-6-7-16(19)26-15/h2-4,6-7,9,11H,5,8H2,1H3,(H,21,24)