dimethyl 5-azanyl-3-[(1-ethylbenzotriazol-5-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(1-ethylbenzotriazol-5-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-ethylbenzotriazole-5-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-ethyl-5-benzotriazolyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-ethylbenzotriazole-5-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1-ethylbenzotriazole-5-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)N=N1

InChI

InChI=1S/C18H18N4O6S/c1-4-22-12-6-5-9(7-11(12)20-21-22)16(23)28-8-10-13(17(24)26-2)15(19)29-14(10)18(25)27-3/h5-7H,4,8,19H2,1-3H3