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

Systemtic Name: 2-[1-prop-2-enoxycarbonyl-5-[(3-prop-2-enoxycarbonylisoquinolin-5-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-allyloxycarbonyl-5-[(3-allyloxycarbonyl-5-isoquinolyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[oxo-[[3-[oxo(prop-2-enoxy)methyl]-5-isoquinolinyl]amino]methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[1-prop-2-enoxycarbonyl-5-[(3-prop-2-enoxycarbonylisoquinolin-5-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(3-allyloxycarbonyl-5-isoquinolyl)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=NC=C2C=CC=C(C2=C1)NC(=O)C3CC(CN3C(=O)OCC=C)CC(=O)S

Isomeric SMILES

C=CCOC(=O)C1=NC=C2C=CC=C(C2=C1)NC(=O)C3CC(CN3C(=O)OCC=C)CC(=O)S

InChI

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