ethyl 3-[2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-3-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)acetyl]amino]benzoic acid ethyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(N=N2)SC4=C3CCCC4

InChI

InChI=1S/C20H20N4O4S/c1-2-28-20(27)12-6-5-7-13(10-12)21-16(25)11-24-19(26)17-14-8-3-4-9-15(14)29-18(17)22-23-24/h5-7,10H,2-4,8-9,11H2,1H3,(H,21,25)