2-[2-[(3-methylcinnolin-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(3-methylcinnolin-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(3-methylcinnolin-5-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(3-methyl-5-cinnolinyl)amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(3-methylcinnolin-5-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(3-methylcinnolin-5-yl)amino]ethyl]thio]acetate Formula: C13H12N3O3S- MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C=CC=C(C2=C1)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

CC1=NN=C2C=CC=C(C2=C1)NC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c1-8-5-9-10(3-2-4-11(9)16-15-8)14-12(17)6-20-7-13(18)19/h2-5H,6-7H2,1H3,(H,14,17)(H,18,19)/p-1