2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methylsulfanyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methylsulfanyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)-3-methylsulfanyl-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[4-(2-amino-2-oxoethoxy)-3-(methylthio)phenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)-3-methylsulfanylphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[4-(2-amino-2-keto-ethoxy)-3-(methylthio)phenyl]-2-(4-cyanoanilino)acetic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC(=O)N

Isomeric SMILES

CSC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC(=O)N

InChI

InChI=1S/C18H17N3O4S/c1-26-15-8-12(4-7-14(15)25-10-16(20)22)17(18(23)24)21-13-5-2-11(9-19)3-6-13/h2-8,17,21H,10H2,1H3,(H2,20,22)(H,23,24)