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

Systemtic Name: 2-[5-[[2,6-bis(prop-2-enoxycarbonyl)phenyl]carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[1-allyloxycarbonyl-5-[[2,6-bis(allyloxycarbonyl)phenyl]carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[5-[[2,6-bis[oxo(prop-2-enoxy)methyl]anilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[5-[[2,6-bis(prop-2-enoxycarbonyl)phenyl]carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[1-allyloxycarbonyl-5-[[2,6-bis(allyloxycarbonyl)phenyl]carbamoyl]pyrrolidin-3-yl]thioacetic acid Formula: C25H28N2O8S MolecularWeight: 516.56342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O8S/c1-4-10-33-23(30)17-8-7-9-18(24(31)34-11-5-2)21(17)26-22(29)19-13-16(14-20(28)36)15-27(19)25(32)35-12-6-3/h4-9,16,19H,1-3,10-15H2,(H,26,29)(H,28,36)