naphthalen-1-ylmethyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: 1-naphthylmethyl 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 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid 1-naphthylmethyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC3=CC=CC=C32)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC3=CC=CC=C32)C)C#N

InChI

InChI=1S/C24H24N2O3S/c1-4-16(5-2)22(27)26-23-20(13-25)15(3)21(30-23)24(28)29-14-18-11-8-10-17-9-6-7-12-19(17)18/h6-12,16H,4-5,14H2,1-3H3,(H,26,27)