ethyl 2-[[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]amino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]amino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(3S)-3-acetamido-3-(p-tolyl)propanoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3S)-3-acetamido-3-(4-methylphenyl)-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(3S)-3-acetamido-3-(p-tolyl)propanoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[C@@H](C2=CC=C(C=C2)C)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C21H26N2O4S/c1-5-16-11-17(21(26)27-6-2)20(28-16)23-19(25)12-18(22-14(4)24)15-9-7-13(3)8-10-15/h7-11,18H,5-6,12H2,1-4H3,(H,22,24)(H,23,25)/t18-/m0/s1