ethyl 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxo-acetyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 3-[[(3-chlorophenyl)thio]methyl]-5-(2-ethoxy-1,2-dioxoethyl)-1-methyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxoacetyl)-1-methylpyrrole-2-carboxylate Traditional Name: 3-[[(3-chlorophenyl)thio]methyl]-5-ethoxalyl-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(N1C)C(=O)C(=O)OCC)CSC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(N1C)C(=O)C(=O)OCC)CSC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-4-25-18(23)16-12(11-27-14-8-6-7-13(20)10-14)9-15(21(16)3)17(22)19(24)26-5-2/h6-10H,4-5,11H2,1-3H3