2-[2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanylethanoyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanylethanoyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]acetyl]anilino)acetic acid CAS Name: 2-(N-[2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-1-oxoethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetyl]anilino)acetic acid Traditional Name: 2-(N-[2-[(3-cyano-6-methoxy-2-quinolyl)thio]acetyl]anilino)acetic acid Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-28-17-7-8-18-14(10-17)9-15(11-22)21(23-18)29-13-19(25)24(12-20(26)27)16-5-3-2-4-6-16/h2-10H,12-13H2,1H3,(H,26,27)