methyl 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)NC4=CC=CC=C4N3O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)NC4=CC=CC=C4N3O

InChI

InChI=1S/C17H17N3O4S/c1-24-16(21)14-10-6-2-5-9-13(10)25-15(14)19-17(22)18-11-7-3-4-8-12(11)20(19)23/h3-4,7-8,23H,2,5-6,9H2,1H3,(H,18,22)