(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-3-23-14-6-5-10(7-13(14)21-22-23)17(24)27-9-12-11(8-19)16(20)28-15(12)18(25)26-4-2/h5-7H,3-4,9,20H2,1-2H3