(phenylmethyl) 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: (phenylmethyl) 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: benzyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-3-methyl-2-thiophenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid benzyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2)C)C#N

InChI

InChI=1S/C20H22N2O3S/c1-4-15(5-2)18(23)22-19-16(11-21)13(3)17(26-19)20(24)25-12-14-9-7-6-8-10-14/h6-10,15H,4-5,12H2,1-3H3,(H,22,23)