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

Systemtic Name: 2-[5-[(2-methyl-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-methyl-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[2-methyl-6-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(2-methyl-6-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-6-methyl-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)C(=O)OCC=C

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)C(=O)OCC=C

InChI

InChI=1S/C22H26N2O6S/c1-4-9-29-21(27)16-8-6-7-14(3)19(16)23-20(26)17-11-15(12-18(25)31)13-24(17)22(28)30-10-5-2/h4-8,15,17H,1-2,9-13H2,3H3,(H,23,26)(H,25,31)