[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-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] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=CS2)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NCC2=CC=CS2)O

InChI

InChI=1S/C16H17NO4S/c1-10-5-6-12(8-14(10)18)16(20)21-11(2)15(19)17-9-13-4-3-7-22-13/h3-8,11,18H,9H2,1-2H3,(H,17,19)/t11-/m0/s1