[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C#N

InChI

InChI=1S/C25H19N3O3S2/c26-13-18-16-7-2-4-9-21(16)33-24(18)28-23(29)14-31-25(30)17-12-20(22-10-5-11-32-22)27-19-8-3-1-6-15(17)19/h1,3,5-6,8,10-12H,2,4,7,9,14H2,(H,28,29)