2-[5-[(4-methyl-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[5-[(4-methyl-2-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4-methyl-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[4-methyl-2-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(4-methyl-2-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[(2-allyloxycarbonyl-4-methyl-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)C(=O)OCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=O)S)C(=O)OCC=C

InChI

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