[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(S2)C)CCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(S2)C)CCC

InChI

InChI=1S/C22H27NO5S/c1-4-6-12-27-21(25)16-8-10-18(11-9-16)23-20(24)14-28-22(26)19-13-17(7-5-2)15(3)29-19/h8-11,13H,4-7,12,14H2,1-3H3,(H,23,24)