2-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(2-prop-2-enoxycarbonylquinolin-4-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(2-prop-2-enoxycarbonylquinolin-4-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[(3S,5S)-1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4-quinolyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[(3S,5S)-5-[oxo-[[2-[oxo(prop-2-enoxy)methyl]-4-quinolinyl]amino]methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(2-prop-2-enoxycarbonylquinolin-4-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[(3S,5S)-1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4-quinolyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=NC2=CC=CC=C2C(=C1)NC(=O)C3CC(CN3C(=O)OCC=C)CC(=O)S

Isomeric SMILES

C=CCOC(=O)C1=NC2=CC=CC=C2C(=C1)NC(=O)[C@@H]3C[C@H](CN3C(=O)OCC=C)CC(=O)S

InChI

InChI=1S/C24H25N3O6S/c1-3-9-32-23(30)19-13-18(16-7-5-6-8-17(16)25-19)26-22(29)20-11-15(12-21(28)34)14-27(20)24(31)33-10-4-2/h3-8,13,15,20H,1-2,9-12,14H2,(H,28,34)(H,25,26,29)/t15-,20-/m0/s1