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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H15N3O3S/c21-16-12-6-1-3-7-14(12)18-19-20(16)10-23-17(22)13-9-24-15-8-4-2-5-11(13)15/h1,3,6-7,9H,2,4-5,8,10H2