[3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] (4E)-4-[(3,4-dichlorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3,4-dichlorobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C29H21Cl2N3O3S MolecularWeight: 562.46634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=C3CCCC(=CC4=CC(=C(C=C4)Cl)Cl)C3=NC5=CC=CC=C52

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=C3CCC/C(=C\C4=CC(=C(C=C4)Cl)Cl)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C29H21Cl2N3O3S/c1-16-15-38-28(33-16)21(13-32)25(35)14-37-29(36)26-19-6-2-3-8-24(19)34-27-18(5-4-7-20(26)27)11-17-9-10-22(30)23(31)12-17/h2-3,6,8-12,15,21H,4-5,7,14H2,1H3/b18-11+