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

Systemtic Name: methyl 2-[2-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S2/c1-18-11(17)6-19-5-10(16)15-12-14-8-3-2-7(13)4-9(8)20-12/h2-4H,5-6,13H2,1H3,(H,14,15,16)