[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)C

InChI

InChI=1S/C21H25NO4S/c1-4-19-14(2)12-20(27-19)21(25)26-13-18(24)17-9-7-16(8-10-17)6-5-11-22-15(3)23/h7-10,12H,4-6,11,13H2,1-3H3,(H,22,23)