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

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 2-azanylbenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 2-aminobenzoate CAS Name: 2-aminobenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 2-aminobenzoate Traditional Name: 2-aminobenzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=CC=C3N)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC=CC=C3N)C)C

InChI

InChI=1S/C20H21N3O2S/c1-12-10-16-14(3)22-20(23-18(16)11-13(12)2)26-9-8-25-19(24)15-6-4-5-7-17(15)21/h4-7,10-11H,8-9,21H2,1-3H3