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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-4-27-19(26)13-9-15(11(2)3)28-17(13)20-16(24)10-23-18(25)12-7-5-6-8-14(12)21-22-23/h5-9,11H,4,10H2,1-3H3,(H,20,24)