ethyl 4-cyano-3-methyl-5-[3-(phenylsulfonyl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(phenylsulfonyl)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(benzenesulfonyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(benzenesulfonyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(3-besylpropanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2)C#N)C

InChI

InChI=1S/C18H18N2O5S2/c1-3-25-18(22)16-12(2)14(11-19)17(26-16)20-15(21)9-10-27(23,24)13-7-5-4-6-8-13/h4-8H,3,9-10H2,1-2H3,(H,20,21)