O4-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester O2-ethyl ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C19H21ClN2O7S/c1-5-28-19(25)17-10(2)16(11(3)21-17)18(24)29-9-15(23)22-14-8-12(30(4,26)27)6-7-13(14)20/h6-8,21H,5,9H2,1-4H3,(H,22,23)