(2S,4R)-4-(4-methoxyphenyl)sulfanyl-N-propan-2-yl-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-N-propan-2-yl-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-isopropyl-4-(4-methoxyphenyl)sulfanyl-1-(4-quinolylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-[(4-methoxyphenyl)thio]-N-propan-2-yl-1-(4-quinolinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-N-propan-2-yl-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-isopropyl-4-[(4-methoxyphenyl)thio]-1-(4-quinolylmethyl)pyrrolidine-2-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC2=CC=NC3=CC=CC=C23)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1CC2=CC=NC3=CC=CC=C23)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O2S/c1-17(2)27-25(29)24-14-21(31-20-10-8-19(30-3)9-11-20)16-28(24)15-18-12-13-26-23-7-5-4-6-22(18)23/h4-13,17,21,24H,14-16H2,1-3H3,(H,27,29)/t21-,24+/m1/s1