2-[5-[(2-chloranyl-6-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[5-[(2-chloranyl-6-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-6-chloro-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[2-chloro-6-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(2-chloro-6-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-6-chloro-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(C(=CC=C1)Cl)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

Isomeric SMILES

C=CCOC(=O)C1=C(C(=CC=C1)Cl)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

InChI

InChI=1S/C21H23ClN2O6S/c1-3-8-29-20(27)14-6-5-7-15(22)18(14)23-19(26)16-10-13(11-17(25)31)12-24(16)21(28)30-9-4-2/h3-7,13,16H,1-2,8-12H2,(H,23,26)(H,25,31)