dimethyl 2-[(5-methylbenzotriazol-1-yl)methylamino]-1,3-benzothiazole-5,6-dicarboxylate

Systemtic Name: dimethyl 2-[(5-methylbenzotriazol-1-yl)methylamino]-1,3-benzothiazole-5,6-dicarboxylate Openeye Name: dimethyl 2-[(5-methylbenzotriazol-1-yl)methylamino]-1,3-benzothiazole-5,6-dicarboxylate CAS Name: 2-[(5-methyl-1-benzotriazolyl)methylamino]-1,3-benzothiazole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-methylbenzotriazol-1-yl)methylamino]-1,3-benzothiazole-5,6-dicarboxylate Traditional Name: 2-[(5-methylbenzotriazol-1-yl)methylamino]-1,3-benzothiazole-5,6-dicarboxylic acid dimethyl ester Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)CNC3=NC4=C(S3)C=C(C(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)CNC3=NC4=C(S3)C=C(C(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H17N5O4S/c1-10-4-5-15-13(6-10)22-23-24(15)9-20-19-21-14-7-11(17(25)27-2)12(18(26)28-3)8-16(14)29-19/h4-8H,9H2,1-3H3,(H,20,21)