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

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H22N4O4S/c1-4-28-20(27)17-13(9-12(2)3)11-29-18(17)21-16(25)10-24-19(26)14-7-5-6-8-15(14)22-23-24/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,25)