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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4CC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4CC4)C

InChI

InChI=1S/C19H18N4O4S/c1-10-11(2)28-17(20-16(24)12-7-8-12)15(10)19(26)27-9-23-18(25)13-5-3-4-6-14(13)21-22-23/h3-6,12H,7-9H2,1-2H3,(H,20,24)