[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C22H19N3O3S/c1-13-6-7-18-16(10-13)20(15-4-2-3-5-17(15)24-18)22(27)28-12-19(26)25-21-14(11-23)8-9-29-21/h2-5,8-9,13H,6-7,10,12H2,1H3,(H,25,26)/t13-/m0/s1