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

Systemtic Name: propan-2-yl 5-(2-chloranylethanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[(2-chloroacetyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(2-chloroacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3S/c1-6(2)18-12(17)10-7(3)8(5-14)11(19-10)15-9(16)4-13/h6H,4H2,1-3H3,(H,15,16)