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

Systemtic Name: 2-[5-[(5-chloranyl-2-prop-2-enoxy-3-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[5-[(2-allyloxy-3-allyloxycarbonyl-5-chloro-phenyl)carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[5-chloro-3-[oxo(prop-2-enoxy)methyl]-2-prop-2-enoxyanilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(5-chloro-2-prop-2-enoxy-3-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[5-[(2-allyloxy-3-allyloxycarbonyl-5-chloro-phenyl)carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]thioacetic acid Formula: C24H27ClN2O7S MolecularWeight: 522.99838

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1C(=O)OCC=C)Cl)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

Isomeric SMILES

C=CCOC1=C(C=C(C=C1C(=O)OCC=C)Cl)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

InChI

InChI=1S/C24H27ClN2O7S/c1-4-7-32-21-17(23(30)33-8-5-2)12-16(25)13-18(21)26-22(29)19-10-15(11-20(28)35)14-27(19)24(31)34-9-6-3/h4-6,12-13,15,19H,1-3,7-11,14H2,(H,26,29)(H,28,35)