[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-methylthiazol-2-yl)thio]methyl]coumarilic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=CS3)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=CS3)C

InChI

InChI=1S/C20H22N2O4S2/c1-4-9-21-18(23)13(3)25-19(24)17-15(11-28-20-22-12(2)10-27-20)14-7-5-6-8-16(14)26-17/h5-8,10,13H,4,9,11H2,1-3H3,(H,21,23)/t13-/m0/s1