tert-butyl (2S,4R)-2-[[(2R)-1-methoxy-1-oxidanylidene-3-prop-2-enylsulfanyl-propan-2-yl]carbamoyl]-4-(7-methoxyquinolin-4-yl)oxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-2-[[(2R)-1-methoxy-1-oxidanylidene-3-prop-2-enylsulfanyl-propan-2-yl]carbamoyl]-4-(7-methoxyquinolin-4-yl)oxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-2-[[(1R)-1-(allylsulfanylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]-4-[(7-methoxy-4-quinolyl)oxy]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[[[(2R)-1-methoxy-1-oxo-3-(prop-2-enylthio)propan-2-yl]amino]-oxomethyl]-4-[(7-methoxy-4-quinolinyl)oxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-[[(2R)-1-methoxy-1-oxo-3-prop-2-enylsulfanylpropan-2-yl]carbamoyl]-4-(7-methoxyquinolin-4-yl)oxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[[(1R)-1-[(allylthio)methyl]-2-keto-2-methoxy-ethyl]carbamoyl]-4-[(7-methoxy-4-quinolyl)oxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H35N3O7S MolecularWeight: 545.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC(CSCC=C)C(=O)OC)OC2=C3C=CC(=CC3=NC=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CSCC=C)C(=O)OC)OC2=C3C=CC(=CC3=NC=C2)OC

InChI

InChI=1S/C27H35N3O7S/c1-7-12-38-16-21(25(32)35-6)29-24(31)22-14-18(15-30(22)26(33)37-27(2,3)4)36-23-10-11-28-20-13-17(34-5)8-9-19(20)23/h7-11,13,18,21-22H,1,12,14-16H2,2-6H3,(H,29,31)/t18-,21+,22+/m1/s1