[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H21NO4S/c1-13-7-11-17(26-13)16(22)10-12-18(23)25-19(14-5-3-2-4-6-14)20(24)21-15-8-9-15/h2-7,11,15,19H,8-10,12H2,1H3,(H,21,24)