(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (4Z)-2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4Z)-2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C31H28N4O3S MolecularWeight: 536.64402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCN5C(=O)C6=CC=CC=C6N=N5

Isomeric SMILES

CC(C)(C)C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCN5C(=O)C6=CC=CC=C6N=N5

InChI

InChI=1S/C31H28N4O3S/c1-31(2,3)20-15-19(16-21-9-8-14-39-21)28-24(17-20)27(22-10-4-6-12-25(22)32-28)30(37)38-18-35-29(36)23-11-5-7-13-26(23)33-34-35/h4-14,16,20H,15,17-18H2,1-3H3/b19-16-