methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]acetate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]acetic acid methyl ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H12N2O3S2/c1-17-11(16)6-13-10(15)7-18-12-14-8-4-2-3-5-9(8)19-12/h2-5H,6-7H2,1H3,(H,13,15)