ethyl 4-cyano-5-[(3-ethylsulfonylphenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[(3-ethylsulfonylphenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(3-ethylsulfonylbenzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(3-ethylsulfonylphenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(3-ethylsulfonylbenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3-esylbenzoyl)amino]-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)C2=CC(=CC=C2)S(=O)(=O)CC)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c1-4-25-18(22)15-11(3)14(10-19)17(26-15)20-16(21)12-7-6-8-13(9-12)27(23,24)5-2/h6-9H,4-5H2,1-3H3,(H,20,21)