ethyl 4-cyano-5-methylsulfanyl-3-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-methylsulfanyl-3-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-[(4-isopropylphenyl)sulfonylamino]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-(methylthio)-3-[(4-propan-2-ylphenyl)sulfonylamino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-methylsulfanyl-3-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-(methylthio)-3-(p-cumenylsulfonylamino)thiophene-2-carboxylic acid ethyl ester Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC)C#N)NS(=O)(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC)C#N)NS(=O)(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H20N2O4S3/c1-5-24-17(21)16-15(14(10-19)18(25-4)26-16)20-27(22,23)13-8-6-12(7-9-13)11(2)3/h6-9,11,20H,5H2,1-4H3