2-[(3-chloranyl-2-methyl-phenyl)amino]benzoic acid; ethyl (2R)-2-azanyl-3-sulfanyl-propanoate

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)amino]benzoic acid; ethyl (2R)-2-azanyl-3-sulfanyl-propanoate Openeye Name: 2-(3-chloro-2-methyl-anilino)benzoic acid; ethyl (2R)-2-amino-3-sulfanyl-propanoate CAS Name: (2R)-2-amino-3-mercaptopropanoic acid ethyl ester; 2-(3-chloro-2-methylanilino)benzoic acid IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid; ethyl (2R)-2-amino-3-sulfanylpropanoate Traditional Name: (2R)-2-amino-3-mercapto-propionic acid ethyl ester; 2-(3-chloro-2-methyl-anilino)benzoic acid Formula: C19H23ClN2O4S MolecularWeight: 410.91492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)N.CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CS)N.CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12ClNO2.C5H11NO2S/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18;1-2-8-5(7)4(6)3-9/h2-8,16H,1H3,(H,17,18);4,9H,2-3,6H2,1H3/t;4-/m.0/s1