[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl] ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)C

Isomeric SMILES

CC[C@@H](C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2S1)C

InChI

InChI=1S/C16H19NO3S/c1-4-10(2)17-14(18)9-20-16(19)15-11(3)12-7-5-6-8-13(12)21-15/h5-8,10H,4,9H2,1-3H3,(H,17,18)/t10-/m1/s1