methyl 5-[(1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)methylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[(1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)methylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-allyloxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)methylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-mercapto-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]methylamino]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-prop-2-enoxycarbonyl-4-sulfanylpyrrolidin-2-yl)methylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[(1-allyloxycarbonyl-4-mercapto-pyrrolidin-2-yl)methylcarbamoyl]picolinic acid methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(=O)NCC2CC(CN2C(=O)OCC=C)S

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(=O)NCC2CC(CN2C(=O)OCC=C)S

InChI

InChI=1S/C17H21N3O5S/c1-3-6-25-17(23)20-10-13(26)7-12(20)9-19-15(21)11-4-5-14(18-8-11)16(22)24-2/h3-5,8,12-13,26H,1,6-7,9-10H2,2H3,(H,19,21)