[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H22N2O4S/c1-14-10-19(15(2)23(14)12-17-7-5-9-26-17)21(25)27-13-20(24)22-16-6-4-8-18(11-16)28-3/h4-11H,12-13H2,1-3H3,(H,22,24)