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

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 5-(cyclopropylcarbonylamino)thiophene-2-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-2-thiophenecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate Traditional Name: 5-(cyclopropanecarbonylamino)thiophene-2-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(S2)NC(=O)C3CC3

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(S2)NC(=O)C3CC3

InChI

InChI=1S/C22H24N2O5S/c1-14(25)23-12-2-3-15-4-6-16(7-5-15)18(26)13-29-22(28)19-10-11-20(30-19)24-21(27)17-8-9-17/h4-7,10-11,17H,2-3,8-9,12-13H2,1H3,(H,23,25)(H,24,27)