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

Systemtic Name: 2-[2-[(3-methylcinnolin-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(3-methylcinnolin-5-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(3-methyl-5-cinnolinyl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(3-methylcinnolin-5-yl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[(3-methylcinnolin-5-yl)amino]ethyl]thio]acetic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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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)