(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)N)C

InChI

InChI=1S/C18H15N5O3S/c1-9-7-10(2)20-16-13(9)14(19)15(27-16)18(25)26-8-23-17(24)11-5-3-4-6-12(11)21-22-23/h3-7H,8,19H2,1-2H3