[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C18H13N3O3S/c1-11-8-14(13-4-2-3-5-15(13)20-11)18(23)24-10-16(22)21-17-12(9-19)6-7-25-17/h2-8H,10H2,1H3,(H,21,22)