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

Systemtic Name: methyl 4-(4-methylphenyl)-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(octanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-(1-oxooctylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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