(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-10-6-7-13(25-10)15(22)17-8-14(21)24-9-20-16(23)11-4-2-3-5-12(11)18-19-20/h2-7H,8-9H2,1H3,(H,17,22)