methyl 2-[2,5-bis(oxidanyl)-1-prop-2-enyl-pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[2,5-bis(oxidanyl)-1-prop-2-enyl-pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: methyl 2-(1-allyl-2,5-dihydroxy-pyrrolidin-3-yl)sulfanylbenzoate CAS Name: 2-[(2,5-dihydroxy-1-prop-2-enyl-3-pyrrolidinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(2,5-dihydroxy-1-prop-2-enylpyrrolidin-3-yl)sulfanylbenzoate Traditional Name: 2-[(1-allyl-2,5-dihydroxy-pyrrolidin-3-yl)thio]benzoic acid methyl ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2CC(N(C2O)CC=C)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2CC(N(C2O)CC=C)O

InChI

InChI=1S/C15H19NO4S/c1-3-8-16-13(17)9-12(14(16)18)21-11-7-5-4-6-10(11)15(19)20-2/h3-7,12-14,17-18H,1,8-9H2,2H3