2-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(8-prop-2-enoxycarbonylquinolin-6-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(8-prop-2-enoxycarbonylquinolin-6-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[(3S,5S)-1-allyloxycarbonyl-5-[(8-allyloxycarbonyl-6-quinolyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[(3S,5S)-5-[oxo-[[8-[oxo(prop-2-enoxy)methyl]-6-quinolinyl]amino]methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(8-prop-2-enoxycarbonylquinolin-6-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[(3S,5S)-1-allyloxycarbonyl-5-[(8-allyloxycarbonyl-6-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=C2C(=CC(=C1)NC(=O)C3CC(CN3C(=O)OCC=C)CC(=O)S)C=CC=N2

Isomeric SMILES

C=CCOC(=O)C1=C2C(=CC(=C1)NC(=O)[C@@H]3C[C@H](CN3C(=O)OCC=C)CC(=O)S)C=CC=N2

InChI

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