2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(3-acetylanilino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(3-acetylanilino)-2-keto-ethyl]thio]acetic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)O

InChI

InChI=1S/C12H13NO4S/c1-8(14)9-3-2-4-10(5-9)13-11(15)6-18-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)