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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H18N2O2S2/c1-13-18(22-17-5-3-2-4-16(17)21-13)12-24-19(23)14-6-8-15(9-7-14)20-25-10-11-26-20/h2-9,20H,10-12H2,1H3