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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H24N2O4S/c1-3-13(2)22-17(24)11-27-21(26)18-16(14-7-5-4-6-8-14)12-28-20(18)23-19(25)15-9-10-15/h4-8,12-13,15H,3,9-11H2,1-2H3,(H,22,24)(H,23,25)/t13-/m0/s1