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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC(CC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H21NO4S/c1-14-17-10-6-7-11-19(17)28-21(14)22(26)27-13-20(25)23-18(15(2)24)12-16-8-4-3-5-9-16/h3-11,18H,12-13H2,1-2H3,(H,23,25)/t18-/m0/s1