2-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 2-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 2-[3-(3-chloroanilino)-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 2-[[3-(3-chloroanilino)-3-oxopropyl]thio]propanoic acid IUPAC Name: 2-[3-(3-chloroanilino)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 2-[[3-(3-chloroanilino)-3-keto-propyl]thio]propionic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCCC(=O)NC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C(=O)O)SCCC(=O)NC1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-8(12(16)17)18-6-5-11(15)14-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,17)