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

Systemtic Name: ethyl 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-2-25-17(22)15-11-7-3-6-10-14(11)26-16(15)20-18(23)19-12-8-4-5-9-13(12)21(20)24/h4-5,8-9,24H,2-3,6-7,10H2,1H3,(H,19,23)