[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C=CS1)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(C=CS1)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H21NO3S/c1-4-13(3)19-16(20)11-22-18(21)17-15(9-10-23-17)14-7-5-12(2)6-8-14/h5-10,13H,4,11H2,1-3H3,(H,19,20)/t13-/m0/s1