[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

InChI

InChI=1S/C18H20N2O5S/c1-11-9-13(12(2)26-11)15(21)6-7-17(23)25-10-16(22)19-18(24)14-5-4-8-20(14)3/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22,24)