methyl 5-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-5-(3-methanoylphenyl)pentanoate

Systemtic Name: methyl 5-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-5-(3-methanoylphenyl)pentanoate Openeye Name: methyl 5-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-5-(3-formylphenyl)pentanoate CAS Name: 5-[[3-(dimethylamino)-3-oxopropyl]thio]-5-(3-formylphenyl)pentanoic acid methyl ester IUPAC Name: methyl 5-[3-(dimethylamino)-3-oxopropyl]sulfanyl-5-(3-formylphenyl)pentanoate Traditional Name: 5-[[3-(dimethylamino)-3-keto-propyl]thio]-5-(3-formylphenyl)valeric acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSC(CCCC(=O)OC)C1=CC=CC(=C1)C=O

Isomeric SMILES

CN(C)C(=O)CCSC(CCCC(=O)OC)C1=CC=CC(=C1)C=O

InChI

InChI=1S/C18H25NO4S/c1-19(2)17(21)10-11-24-16(8-5-9-18(22)23-3)15-7-4-6-14(12-15)13-20/h4,6-7,12-13,16H,5,8-11H2,1-3H3