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

Systemtic Name: propan-2-yl 5-(4-chloranylbutanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-(4-chlorobutanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(4-chlorobutanoylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(4-chlorobutanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O3S/c1-8(2)20-14(19)12-9(3)10(7-16)13(21-12)17-11(18)5-4-6-15/h8H,4-6H2,1-3H3,(H,17,18)