tert-butyl 4-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(2-methoxycarbonyl-3-thienyl)amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2-methoxycarbonyl-3-thiophenyl)amino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-carbomethoxy-3-thienyl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H25N3O5S/c1-17(2,3)25-16(23)20-8-6-19(7-9-20)11-13(21)18-12-5-10-26-14(12)15(22)24-4/h5,10H,6-9,11H2,1-4H3,(H,18,21)