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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

InChI

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