dimethyl 2-(benzotriazol-1-ylmethylamino)-1,3-benzothiazole-5,6-dicarboxylate

Systemtic Name: dimethyl 2-(benzotriazol-1-ylmethylamino)-1,3-benzothiazole-5,6-dicarboxylate Openeye Name: dimethyl 2-(benzotriazol-1-ylmethylamino)-1,3-benzothiazole-5,6-dicarboxylate CAS Name: 2-(1-benzotriazolylmethylamino)-1,3-benzothiazole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(benzotriazol-1-ylmethylamino)-1,3-benzothiazole-5,6-dicarboxylate Traditional Name: 2-(benzotriazol-1-ylmethylamino)-1,3-benzothiazole-5,6-dicarboxylic acid dimethyl ester Formula: C18H15N5O4S MolecularWeight: 397.4078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1C(=O)OC)SC(=N2)NCN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1C(=O)OC)SC(=N2)NCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15N5O4S/c1-26-16(24)10-7-13-15(8-11(10)17(25)27-2)28-18(20-13)19-9-23-14-6-4-3-5-12(14)21-22-23/h3-8H,9H2,1-2H3,(H,19,20)