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

Systemtic Name: 2-[5-[(4-methyl-3-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[1-allyloxycarbonyl-5-[(3-allyloxycarbonyl-4-methyl-phenyl)carbamoyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[[4-methyl-3-[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(4-methyl-3-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioate Traditional Name: 2-[1-allyloxycarbonyl-5-[(3-allyloxycarbonyl-4-methyl-phenyl)carbamoyl]pyrrolidin-3-yl]thioacetate Formula: C22H25N2O6S- MolecularWeight: 445.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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