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

Systemtic Name: 2-[5-[(5-acetamido-2-carboxy-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(5-acetamido-2-carboxy-phenyl)carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[(5-acetamido-2-carboxyanilino)-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(5-acetamido-2-carboxyphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(5-acetamido-2-carboxy-phenyl)carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C20H22N3O7S- MolecularWeight: 448.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=S)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C2CC(CN2C(=O)OCC=C)CC(=S)[O-]

InChI

InChI=1S/C20H23N3O7S/c1-3-6-30-20(29)23-10-12(8-17(25)31)7-16(23)18(26)22-15-9-13(21-11(2)24)4-5-14(15)19(27)28/h3-5,9,12,16H,1,6-8,10H2,2H3,(H,21,24)(H,22,26)(H,25,31)(H,27,28)/p-1