5-[3-(dimethylamino)-2-methyl-3-oxidanylidene-propyl]sulfanyl-5-(3-methoxyphenyl)pentanoic acid

Systemtic Name: 5-[3-(dimethylamino)-2-methyl-3-oxidanylidene-propyl]sulfanyl-5-(3-methoxyphenyl)pentanoic acid Openeye Name: 5-[3-(dimethylamino)-2-methyl-3-oxo-propyl]sulfanyl-5-(3-methoxyphenyl)pentanoic acid CAS Name: 5-[[3-(dimethylamino)-2-methyl-3-oxopropyl]thio]-5-(3-methoxyphenyl)pentanoic acid IUPAC Name: 5-[3-(dimethylamino)-2-methyl-3-oxopropyl]sulfanyl-5-(3-methoxyphenyl)pentanoic acid Traditional Name: 5-[[3-(dimethylamino)-3-keto-2-methyl-propyl]thio]-5-(3-methoxyphenyl)valeric acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(CCCC(=O)O)C1=CC(=CC=C1)OC)C(=O)N(C)C

Isomeric SMILES

CC(CSC(CCCC(=O)O)C1=CC(=CC=C1)OC)C(=O)N(C)C

InChI

InChI=1S/C18H27NO4S/c1-13(18(22)19(2)3)12-24-16(9-6-10-17(20)21)14-7-5-8-15(11-14)23-4/h5,7-8,11,13,16H,6,9-10,12H2,1-4H3,(H,20,21)