propan-2-yl 4-cyano-5-(2-cyanoethanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-5-(2-cyanoethanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[(2-cyanoacetyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-cyano-1-oxoethyl)amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[(2-cyanoacetyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2-cyanoacetyl)amino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC#N)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC#N)C(=O)OC(C)C

InChI

InChI=1S/C13H13N3O3S/c1-7(2)19-13(18)11-8(3)9(6-15)12(20-11)16-10(17)4-5-14/h7H,4H2,1-3H3,(H,16,17)