methyl 4-cyano-3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-4-phenylbutyl)amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(4-phenylbutanoylamino)thiophene-2-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H18N2O3S/c1-12-14(11-19)17(24-16(12)18(22)23-2)20-15(21)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,20,21)