tert-butyl 2-[(4-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(4-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(4-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-amidino-2-thienyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC(=CS2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC(=CS2)C(=N)N

InChI

InChI=1S/C16H24N4O3S/c1-16(2,3)23-15(22)20-6-4-5-12(20)14(21)19-8-11-7-10(9-24-11)13(17)18/h7,9,12H,4-6,8H2,1-3H3,(H3,17,18)(H,19,21)