(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H17N3O4S/c1-11-9-14(12(2)26-11)16(22)7-8-17(23)25-10-21-18(24)13-5-3-4-6-15(13)19-20-21/h3-6,9H,7-8,10H2,1-2H3