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

Systemtic Name: 4-(4-methylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate Openeye Name: 2-(pentanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxopentylamino)-3-thiophenecarboxylate IUPAC Name: 4-(4-methylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-(valerylamino)-3-thenoate Formula: C17H18NO3S- MolecularWeight: 316.39472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)[O-]

InChI

InChI=1S/C17H19NO3S/c1-3-4-5-14(19)18-16-15(17(20)21)13(10-22-16)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)/p-1