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

Systemtic Name: ethyl 2-[(4-butoxyphenyl)carbonylamino]-3-methylsulfanyl-propanoate Openeye Name: ethyl 2-[(4-butoxybenzoyl)amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxybenzoyl)amino]-3-methylsulfanylpropanoate Traditional Name: 2-[(4-butoxybenzoyl)amino]-3-(methylthio)propionic acid ethyl ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4S/c1-4-6-11-22-14-9-7-13(8-10-14)16(19)18-15(12-23-3)17(20)21-5-2/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19)