[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic 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] 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=C4CCCCC4=NC5=CC=CC=C53)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=C4CCCCC4=NC5=CC=CC=C53)C#N

InChI

InChI=1S/C25H23N3O3S/c26-13-18-15-7-3-6-12-21(15)32-24(18)28-22(29)14-31-25(30)23-16-8-1-4-10-19(16)27-20-11-5-2-9-17(20)23/h1,4,8,10H,2-3,5-7,9,11-12,14H2,(H,28,29)