ethyl 5-[(4-chlorophenyl)methylsulfanyl]-4-propan-2-ylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)methylsulfanyl]-4-propan-2-ylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-chlorophenyl)methylsulfanyl]-4-isopropylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate CAS Name: 5-[(4-chlorophenyl)methylthio]-4-propan-2-ylsulfonyl-3-(1-pyrrolyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chlorophenyl)methylsulfanyl]-4-propan-2-ylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 5-[(4-chlorobenzyl)thio]-4-isopropylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylic acid ethyl ester Formula: C21H22ClNO4S3 MolecularWeight: 484.05168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SCC2=CC=C(C=C2)Cl)S(=O)(=O)C(C)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SCC2=CC=C(C=C2)Cl)S(=O)(=O)C(C)C)N3C=CC=C3

InChI

InChI=1S/C21H22ClNO4S3/c1-4-27-20(24)18-17(23-11-5-6-12-23)19(30(25,26)14(2)3)21(29-18)28-13-15-7-9-16(22)10-8-15/h5-12,14H,4,13H2,1-3H3