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

Systemtic Name: ethyl 3-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H18N4O4S/c1-2-30-22(29)20-17(12-18(31-20)14-8-4-3-5-9-14)23-19(27)13-26-21(28)15-10-6-7-11-16(15)24-25-26/h3-12H,2,13H2,1H3,(H,23,27)