4-[4,5-bis(oxidanyl)pentanoylamino]-3-(ethylsulfanylmethyl)-5-methoxy-2-methoxycarbonyl-6-methyl-benzoic acid

Systemtic Name: 4-[4,5-bis(oxidanyl)pentanoylamino]-3-(ethylsulfanylmethyl)-5-methoxy-2-methoxycarbonyl-6-methyl-benzoic acid Openeye Name: 4-(4,5-dihydroxypentanoylamino)-3-(ethylsulfanylmethyl)-5-methoxy-2-methoxycarbonyl-6-methyl-benzoic acid CAS Name: 4-[(4,5-dihydroxy-1-oxopentyl)amino]-3-[(ethylthio)methyl]-5-methoxy-2-methoxycarbonyl-6-methylbenzoic acid IUPAC Name: 4-(4,5-dihydroxypentanoylamino)-3-(ethylsulfanylmethyl)-5-methoxy-2-methoxycarbonyl-6-methylbenzoic acid Traditional Name: 2-carbomethoxy-4-(4,5-dihydroxypentanoylamino)-3-[(ethylthio)methyl]-5-methoxy-6-methyl-benzoic acid Formula: C19H27NO8S MolecularWeight: 429.48458

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C(=C(C(=C1C(=O)OC)C(=O)O)C)OC)NC(=O)CCC(CO)O

Isomeric SMILES

CCSCC1=C(C(=C(C(=C1C(=O)OC)C(=O)O)C)OC)NC(=O)CCC(CO)O

InChI

InChI=1S/C19H27NO8S/c1-5-29-9-12-15(19(26)28-4)14(18(24)25)10(2)17(27-3)16(12)20-13(23)7-6-11(22)8-21/h11,21-22H,5-9H2,1-4H3,(H,20,23)(H,24,25)