[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(C)C3=CC=CS3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N[C@H](C)C3=CC=CS3)N=N1

InChI

InChI=1S/C17H18N4O3S/c1-3-21-14-7-6-12(9-13(14)19-20-21)17(23)24-10-16(22)18-11(2)15-5-4-8-25-15/h4-9,11H,3,10H2,1-2H3,(H,18,22)/t11-/m1/s1