2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-5-methyl-benzoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-5-methyl-benzoic acid CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-5-methylbenzoic acid Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-5-methyl-benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSCC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSCC(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-8-2-3-10(9(6-8)13(18)19)15-12(17)4-5-20-7-11(14)16/h2-3,6H,4-5,7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)