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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H14N2O4S2 MolecularWeight: 326.39126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)C(CO)NC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O4S2/c1-19-12(18)9(6-16)14-11(17)7-20-13-15-8-4-2-3-5-10(8)21-13/h2-5,9,16H,6-7H2,1H3,(H,14,17)