[3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanyl-pyrrol-2-yl]methyl ethanoate

Systemtic Name: [3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanyl-pyrrol-2-yl]methyl ethanoate Openeye Name: [3-(4-chlorophenyl)-4-cyano-5-isopropylsulfanyl-1-methyl-pyrrol-2-yl]methyl acetate CAS Name: acetic acid [3-(4-chlorophenyl)-4-cyano-1-methyl-5-(propan-2-ylthio)-2-pyrrolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-4-cyano-1-methyl-5-propan-2-ylsulfanylpyrrol-2-yl]methyl acetate Traditional Name: acetic acid [3-(4-chlorophenyl)-4-cyano-5-(isopropylthio)-1-methyl-pyrrol-2-yl]methyl ester Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2S/c1-11(2)24-18-15(9-20)17(13-5-7-14(19)8-6-13)16(21(18)4)10-23-12(3)22/h5-8,11H,10H2,1-4H3