(3-methylquinoxalin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C19H18N2O2S/c1-12-17(21-16-8-4-3-7-15(16)20-12)10-23-19(22)14-11-24-18-9-5-2-6-13(14)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3