propan-2-yl (2S)-2-(methylsulfanylmethyl)-7-oxidanyl-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate

Systemtic Name: propan-2-yl (2S)-2-(methylsulfanylmethyl)-7-oxidanyl-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate Openeye Name: isopropyl (2S)-7-hydroxy-2-(methylsulfanylmethyl)-3-thioxo-2,4-dihydroquinoxaline-1-carboxylate CAS Name: (2S)-7-hydroxy-2-[(methylthio)methyl]-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-7-hydroxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate Traditional Name: (2S)-7-hydroxy-2-[(methylthio)methyl]-3-thioxo-2,4-dihydroquinoxaline-1-carboxylic acid isopropyl ester Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1C(C(=S)NC2=C1C=C(C=C2)O)CSC

Isomeric SMILES

CC(C)OC(=O)N1[C@H](C(=S)NC2=C1C=C(C=C2)O)CSC

InChI

InChI=1S/C14H18N2O3S2/c1-8(2)19-14(18)16-11-6-9(17)4-5-10(11)15-13(20)12(16)7-21-3/h4-6,8,12,17H,7H2,1-3H3,(H,15,20)/t12-/m0/s1