methyl 4-(4-methylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(pentanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-(valerylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C18H21NO3S/c1-4-5-6-15(20)19-17-16(18(21)22-3)14(11-23-17)13-9-7-12(2)8-10-13/h7-11H,4-6H2,1-3H3,(H,19,20)