methyl 2-[(4-butoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(4-butoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-butoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-butoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-butoxybenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H25NO4S/c1-4-5-11-22-14-8-6-13(7-9-14)16(19)18-15(10-12-23-3)17(20)21-2/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,19)