ethyl 3-(4-chlorophenyl)-4-methanoyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-methanoyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-4-formyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate CAS Name: 3-(4-chlorophenyl)-4-formyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-formyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-formyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C15H14ClNO3S MolecularWeight: 323.79456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-12(9-4-6-10(16)7-5-9)11(8-18)14(17-13)21-2/h4-8,17H,3H2,1-2H3