methyl 2-[(4-butoxyphenyl)carbonylamino]-3-methylsulfanyl-propanoate

Systemtic Name: methyl 2-[(4-butoxyphenyl)carbonylamino]-3-methylsulfanyl-propanoate Openeye Name: methyl 2-[(4-butoxybenzoyl)amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-butoxybenzoyl)amino]-3-methylsulfanylpropanoate Traditional Name: 2-[(4-butoxybenzoyl)amino]-3-(methylthio)propionic acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4S/c1-4-5-10-21-13-8-6-12(7-9-13)15(18)17-14(11-22-3)16(19)20-2/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)