[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

InChI

InChI=1S/C18H20N2O4S/c1-12-6-7-13(2)15(9-12)25-11-17(22)24-10-16(21)19-18(23)14-5-4-8-20(14)3/h4-9H,10-11H2,1-3H3,(H,19,21,23)