[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [(2R)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [(1R)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1CSC2=NC(=CS2)C

Isomeric SMILES

CCCNC(=O)[C@@H](C)OC(=O)C1=CC=CC=C1CSC2=NC(=CS2)C

InChI

InChI=1S/C18H22N2O3S2/c1-4-9-19-16(21)13(3)23-17(22)15-8-6-5-7-14(15)11-25-18-20-12(2)10-24-18/h5-8,10,13H,4,9,11H2,1-3H3,(H,19,21)/t13-/m1/s1