ethyl 2-(heptanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(heptanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(heptanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxoheptylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(heptanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(enanthylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H27NO3S/c1-4-6-7-8-9-18(23)22-20-19(21(24)25-5-2)17(14-26-20)16-12-10-15(3)11-13-16/h10-14H,4-9H2,1-3H3,(H,22,23)