methyl 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(3-chlorophenyl)thio]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(3-chlorophenyl)sulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3-chlorophenyl)thio]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C12H10ClNO2S MolecularWeight: 267.7313

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=C1)SC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=CNC(=C1)SC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H10ClNO2S/c1-16-12(15)8-5-11(14-7-8)17-10-4-2-3-9(13)6-10/h2-7,14H,1H3