ethyl 5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-propan-2-ylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-propan-2-ylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2,6-dichlorophenyl)methylsulfanyl]-4-isopropylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylate CAS Name: 5-[(2,6-dichlorophenyl)methylthio]-4-propan-2-ylsulfonyl-3-(1-pyrrolyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,6-dichlorophenyl)methylsulfanyl]-4-propan-2-ylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 5-[(2,6-dichlorobenzyl)thio]-4-isopropylsulfonyl-3-pyrrol-1-yl-thiophene-2-carboxylic acid ethyl ester Formula: C21H21Cl2NO4S3 MolecularWeight: 518.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SCC2=C(C=CC=C2Cl)Cl)S(=O)(=O)C(C)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SCC2=C(C=CC=C2Cl)Cl)S(=O)(=O)C(C)C)N3C=CC=C3

InChI

InChI=1S/C21H21Cl2NO4S3/c1-4-28-20(25)18-17(24-10-5-6-11-24)19(31(26,27)13(2)3)21(30-18)29-12-14-15(22)8-7-9-16(14)23/h5-11,13H,4,12H2,1-3H3