ethyl 2-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoyl-phenyl-amino]ethanoate

Systemtic Name: ethyl 2-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetyl]anilino)acetate CAS Name: 2-(N-[2-[(3-cyano-7-methyl-2-quinolinyl)thio]-1-oxoethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]anilino)acetate Traditional Name: 2-(N-[2-[(3-cyano-7-methyl-2-quinolyl)thio]acetyl]anilino)acetic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N

InChI

InChI=1S/C23H21N3O3S/c1-3-29-22(28)14-26(19-7-5-4-6-8-19)21(27)15-30-23-18(13-24)12-17-10-9-16(2)11-20(17)25-23/h4-12H,3,14-15H2,1-2H3