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

Systemtic Name: 2-azanyl-3-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]thio]propionic acid Formula: C12H15ClN2O4S MolecularWeight: 318.7765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC(C(=O)O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC(C(=O)O)N)Cl

InChI

InChI=1S/C12H15ClN2O4S/c1-19-10-3-2-7(4-8(10)13)15-11(16)6-20-5-9(14)12(17)18/h2-4,9H,5-6,14H2,1H3,(H,15,16)(H,17,18)