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

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(dimethylamino)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic 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-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=CC=C2)N(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=CC=C2)N(C)C

InChI

InChI=1S/C17H20N2O3S/c1-12(16(20)18-11-15-8-5-9-23-15)22-17(21)13-6-4-7-14(10-13)19(2)3/h4-10,12H,11H2,1-3H3,(H,18,20)/t12-/m0/s1