ethyl 5-ethyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)OCC

InChI

InChI=1S/C18H18N4O4S/c1-3-11-9-13(18(25)26-4-2)16(27-11)19-15(23)10-22-17(24)12-7-5-6-8-14(12)20-21-22/h5-9H,3-4,10H2,1-2H3,(H,19,23)