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

Systemtic Name: 3-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2-carbamoylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(2-carbamoylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(2-carbamoylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2-carbamoylanilino)-2-keto-ethyl]thio]propionic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c13-8(12(18)19)5-20-6-10(16)15-9-4-2-1-3-7(9)11(14)17/h1-4,8H,5-6,13H2,(H2,14,17)(H,15,16)(H,18,19)