methyl 2-[[(2R)-2-(ethanethioylamino)-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-5-methoxy-6-methyl-3-oxidanyl-benzoate

Systemtic Name: methyl 2-[[(2R)-2-(ethanethioylamino)-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-5-methoxy-6-methyl-3-oxidanyl-benzoate Openeye Name: methyl 2-[[(2R)-2-(ethanethioylamino)-3-methoxy-3-oxo-propyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methyl-benzoate CAS Name: 3-hydroxy-5-methoxy-2-[[[(2R)-3-methoxy-3-oxo-2-(1-sulfanylideneethylamino)propyl]thio]methyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[(2R)-2-(ethanethioylamino)-3-methoxy-3-oxopropyl]sulfanylmethyl]-3-hydroxy-5-methoxy-6-methylbenzoate Traditional Name: 3-hydroxy-2-[[[(2R)-3-keto-3-methoxy-2-(thioacetylamino)propyl]thio]methyl]-5-methoxy-6-methyl-benzoic acid methyl ester Formula: C17H23NO6S2 MolecularWeight: 401.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1OC)O)CSCC(C(=O)OC)NC(=S)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1OC)O)CSC[C@@H](C(=O)OC)NC(=S)C)C(=O)OC

InChI

InChI=1S/C17H23NO6S2/c1-9-14(22-3)6-13(19)11(15(9)17(21)24-5)7-26-8-12(16(20)23-4)18-10(2)25/h6,12,19H,7-8H2,1-5H3,(H,18,25)/t12-/m0/s1