O4-[2-(4-chlorophenyl)sulfanylethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-(4-chlorophenyl)sulfanylethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(4-chlorophenyl)sulfanylethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[(4-chlorophenyl)thio]ethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(4-chlorophenyl)sulfanylethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[(4-chlorophenyl)thio]ethyl] ester O2-ethyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C18H20ClNO4S/c1-4-23-18(22)16-11(2)15(12(3)20-16)17(21)24-9-10-25-14-7-5-13(19)6-8-14/h5-8,20H,4,9-10H2,1-3H3