2-azanyl-3-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 3-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-2-amino-propanoic acid CAS Name: 3-[[2-(4-acetylanilino)-2-oxoethyl]thio]-2-aminopropanoic acid IUPAC Name: 3-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-2-aminopropanoic acid Traditional Name: 3-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-2-amino-propionic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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