2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3-nitrobenzoate

Systemtic Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3-nitrobenzoate Openeye Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-[(4,6,7-trimethyl-2-quinazolinyl)thio]ethyl ester IUPAC Name: 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-[(4,6,7-trimethylquinazolin-2-yl)thio]ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)SCCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H19N3O4S/c1-12-9-17-14(3)21-20(22-18(17)10-13(12)2)28-8-7-27-19(24)15-5-4-6-16(11-15)23(25)26/h4-6,9-11H,7-8H2,1-3H3