(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H20N4O4S/c28-21-17-8-4-5-9-19(17)24-25-27(21)15-31-23(29)20-14-18(16-6-2-1-3-7-16)22(32-20)26-10-12-30-13-11-26/h1-9,14H,10-13,15H2