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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C16H15N3O3S/c1-3-11-8-14(23-10(11)2)16(21)22-9-19-15(20)12-6-4-5-7-13(12)17-18-19/h4-8H,3,9H2,1-2H3