methyl 3-[2-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=NC2=C(S1)C=C(C=C2)N

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=NC2=C(S1)C=C(C=C2)N

InChI

InChI=1S/C13H15N3O3S2/c1-19-12(18)4-5-20-7-11(17)16-13-15-9-3-2-8(14)6-10(9)21-13/h2-3,6H,4-5,7,14H2,1H3,(H,15,16,17)