2-azanyl-3-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H12ClN3O3S MolecularWeight: 313.75998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSCC(C(=O)O)N)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSCC(C(=O)O)N)Cl)C#N

InChI

InChI=1S/C12H12ClN3O3S/c13-9-3-8(2-1-7(9)4-14)16-11(17)6-20-5-10(15)12(18)19/h1-3,10H,5-6,15H2,(H,16,17)(H,18,19)