ethyl 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)N3C(=O)NC4=CC=CC=C4N3O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)N3C(=O)NC4=CC=CC=C4N3O

InChI

InChI=1S/C19H21N3O4S/c1-2-26-18(23)16-12-8-4-3-5-11-15(12)27-17(16)21-19(24)20-13-9-6-7-10-14(13)22(21)25/h6-7,9-10,25H,2-5,8,11H2,1H3,(H,20,24)