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

Systemtic Name: 2-(hexanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: 2-(hexanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxohexylamino)-3-thiophenecarboxylate IUPAC Name: 2-(hexanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(caproylamino)-4-(p-tolyl)-3-thenoate Formula: C18H20NO3S- MolecularWeight: 330.4213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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