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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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