2-(3-butoxycarbonyloxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-(3-butoxycarbonyloxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-(3-butoxycarbonyloxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[3-[butoxy(oxo)methoxy]propyl]-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-(3-butoxycarbonyloxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-(3-butoxycarbonyloxypropyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OCCCC1CC(CN1C(=O)O)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCOC(=O)OCCCC1CC(CN1C(=O)O)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H31NO6S/c1-3-4-11-27-21(25)28-12-5-6-17-13-19(14-22(17)20(23)24)29-15-16-7-9-18(26-2)10-8-16/h7-10,17,19H,3-6,11-15H2,1-2H3,(H,23,24)