[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)NC(=O)C3CC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)SC)NC(=O)C)NC(=O)C3CC3)C

InChI

InChI=1S/C22H24N2O5S2/c1-11-12(2)31-21(24-20(27)14-5-6-14)19(11)22(28)29-10-17(26)15-7-8-18(30-4)16(9-15)23-13(3)25/h7-9,14H,5-6,10H2,1-4H3,(H,23,25)(H,24,27)