[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-acetamido-3-methyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)NCC2=CC=CS2

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)O[C@@H](C)C(=O)NCC2=CC=CS2

InChI

InChI=1S/C18H20N2O4S/c1-11-6-4-8-15(16(11)20-13(3)21)18(23)24-12(2)17(22)19-10-14-7-5-9-25-14/h4-9,12H,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1