dimethyl 5-azanyl-3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H18N4O7S MolecularWeight: 446.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)OC)N

InChI

InChI=1S/C19H18N4O7S/c1-28-18(26)14-11(15(19(27)29-2)31-16(14)20)9-30-13(24)7-8-23-17(25)10-5-3-4-6-12(10)21-22-23/h3-6H,7-9,20H2,1-2H3