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

Systemtic Name: 2-[5-[(5-methoxy-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-5-methoxy-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[5-methoxy-2-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(5-methoxy-2-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-5-methoxy-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC=C)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC=C)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S

InChI

InChI=1S/C22H26N2O7S/c1-4-8-30-21(27)16-7-6-15(29-3)12-17(16)23-20(26)18-10-14(11-19(25)32)13-24(18)22(28)31-9-5-2/h4-7,12,14,18H,1-2,8-11,13H2,3H3,(H,23,26)(H,25,32)