3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanyl-pyrrole-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanyl-pyrrole-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-4-cyano-5-isopropylsulfanyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-4-cyano-1-methyl-5-(propan-2-ylthio)-2-pyrrolecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanylpyrrole-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(isopropylthio)-1-methyl-pyrrole-2-carboxylic acid Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)SC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C16H15ClN2O2S/c1-9(2)22-15-12(8-18)13(14(16(20)21)19(15)3)10-4-6-11(17)7-5-10/h4-7,9H,1-3H3,(H,20,21)