[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-6-16-7-9-17(10-8-16)13(3)22-18(25)11-27-21(26)19-12(2)14(4)28-20(19)23-15(5)24/h7-10,13H,6,11H2,1-5H3,(H,22,25)(H,23,24)/t13-/m0/s1