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

Systemtic Name: 2-[5-[(2-methoxy-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-methoxy-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[2-methoxy-6-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(2-methoxy-6-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-6-methoxy-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)C(=O)OCC=C

Isomeric SMILES

COC1=CC=CC(=C1NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)C(=O)OCC=C

InChI

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