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

Systemtic Name: 2-[5-[(3-methyl-2-prop-2-enoxy-6-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[5-[(2-allyloxy-6-allyloxycarbonyl-3-methyl-phenyl)carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[3-methyl-6-[oxo(prop-2-enoxy)methyl]-2-prop-2-enoxyanilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[(3-methyl-2-prop-2-enoxy-6-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[5-[(2-allyloxy-6-allyloxycarbonyl-3-methyl-phenyl)carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]thioacetic acid Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O7S/c1-5-10-32-22-16(4)8-9-18(24(30)33-11-6-2)21(22)26-23(29)19-13-17(14-20(28)35)15-27(19)25(31)34-12-7-3/h5-9,17,19H,1-3,10-15H2,4H3,(H,26,29)(H,28,35)