tert-butyl 2-(6-chloranyl-3-methyl-4-phenyl-2-sulfanylidene-1H-quinazolin-4-yl)ethanoate

Systemtic Name: tert-butyl 2-(6-chloranyl-3-methyl-4-phenyl-2-sulfanylidene-1H-quinazolin-4-yl)ethanoate Openeye Name: tert-butyl 2-(6-chloro-3-methyl-4-phenyl-2-thioxo-1H-quinazolin-4-yl)acetate CAS Name: 2-(6-chloro-3-methyl-4-phenyl-2-sulfanylidene-1H-quinazolin-4-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloro-3-methyl-4-phenyl-2-sulfanylidene-1H-quinazolin-4-yl)acetate Traditional Name: 2-(6-chloro-3-methyl-4-phenyl-2-thioxo-1H-quinazolin-4-yl)acetic acid tert-butyl ester Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(C2=C(C=CC(=C2)Cl)NC(=S)N1C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC1(C2=C(C=CC(=C2)Cl)NC(=S)N1C)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O2S/c1-20(2,3)26-18(25)13-21(14-8-6-5-7-9-14)16-12-15(22)10-11-17(16)23-19(27)24(21)4/h5-12H,13H2,1-4H3,(H,23,27)