methyl 2-[[6-(methylcarbamothioylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-(methylcarbamothioylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-(methylcarbamothioylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[methylamino(sulfanylidene)methyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(methylcarbamothioylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(methylthiocarbamoylamino)-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C12H13N3O2S3 MolecularWeight: 327.44552

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC

Isomeric SMILES

CNC(=S)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC

InChI

InChI=1S/C12H13N3O2S3/c1-13-11(18)14-7-3-4-8-9(5-7)20-12(15-8)19-6-10(16)17-2/h3-5H,6H2,1-2H3,(H2,13,14,18)