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

Systemtic Name: methyl 2-[1-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-keto-1-methyl-ethyl]thio]acetic acid methyl ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)N)SCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)N)SCC(=O)OC

InChI

InChI=1S/C13H15N3O3S2/c1-7(20-6-11(17)19-2)12(18)16-13-15-9-4-3-8(14)5-10(9)21-13/h3-5,7H,6,14H2,1-2H3,(H,15,16,18)