[1-[N'-(thiophen-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-[N'-(thiophen-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[N'-(2-thienylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[amino(thiophen-2-ylmethylimino)methyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[N'-(thiophen-2-ylmethyl)carbamimidoyl]pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[N'-(2-thenyl)amidino]pyrrolidin-3-yl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCC4=CC=CS4)N)O

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)OC3CCN(C3)C(=NCC4=CC=CS4)N)O

InChI

InChI=1S/C23H29N3O3S/c24-22(25-15-20-11-6-14-30-20)26-13-12-19(16-26)29-21(27)23(28,18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,11,14,18-19,28H,4-5,9-10,12-13,15-16H2,(H2,24,25)/t19?,23-/m0/s1