1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H20N4O4S/c1-16(24-29-21-11-4-2-9-19(21)25(32)30-24)34-26(33)20-10-3-5-12-22(20)35-15-23(31)28-18-8-6-7-17(13-18)14-27/h2-13,16H,15H2,1H3,(H,28,31)(H,29,30,32)