(3-methylquinoxalin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H20N2O2S2/c1-14-19(23-18-6-3-2-5-17(18)22-14)13-25-20(24)15-7-9-16(10-8-15)21-26-11-4-12-27-21/h2-3,5-10,21H,4,11-13H2,1H3