6-[[(4-ethoxycarbonyloxy-5-oxidanyl-pentanoyl)amino]-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]-3-methoxy-2-methyl-benzoic acid

Systemtic Name: 6-[[(4-ethoxycarbonyloxy-5-oxidanyl-pentanoyl)amino]-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]-3-methoxy-2-methyl-benzoic acid Openeye Name: 6-[[(4-ethoxycarbonyloxy-5-hydroxy-pentanoyl)amino]-(3-methoxy-3-oxo-propyl)sulfanyl-methyl]-3-methoxy-2-methyl-benzoic acid CAS Name: 6-[[(4-ethoxycarbonyloxy-5-hydroxy-1-oxopentyl)amino]-[(3-methoxy-3-oxopropyl)thio]methyl]-3-methoxy-2-methylbenzoic acid IUPAC Name: 6-[[(4-ethoxycarbonyloxy-5-hydroxypentanoyl)amino]-(3-methoxy-3-oxopropyl)sulfanylmethyl]-3-methoxy-2-methylbenzoic acid Traditional Name: 6-[[(4-carbethoxyoxy-5-hydroxy-pentanoyl)amino]-[(3-keto-3-methoxy-propyl)thio]methyl]-3-methoxy-2-methyl-benzoic acid Formula: C22H31NO10S MolecularWeight: 501.54724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(CCC(=O)NC(C1=C(C(=C(C=C1)OC)C)C(=O)O)SCCC(=O)OC)CO

Isomeric SMILES

CCOC(=O)OC(CCC(=O)NC(C1=C(C(=C(C=C1)OC)C)C(=O)O)SCCC(=O)OC)CO

InChI

InChI=1S/C22H31NO10S/c1-5-32-22(29)33-14(12-24)6-9-17(25)23-20(34-11-10-18(26)31-4)15-7-8-16(30-3)13(2)19(15)21(27)28/h7-8,14,20,24H,5-6,9-12H2,1-4H3,(H,23,25)(H,27,28)