[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-13-12-18(16(4)27-13)19(23)10-11-20(24)26-15(3)21(25)22-14(2)17-8-6-5-7-9-17/h5-9,12,14-15H,10-11H2,1-4H3,(H,22,25)