2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-chloranylbenzoate

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-chloranylbenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=C(C=C3)Cl)C)C

InChI

InChI=1S/C20H19ClN2O2S/c1-12-10-17-14(3)22-20(23-18(17)11-13(12)2)26-9-8-25-19(24)15-4-6-16(21)7-5-15/h4-7,10-11H,8-9H2,1-3H3