4-butylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-butylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid Openeye Name: 4-butylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid CAS Name: 4-(butylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-butylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid Traditional Name: 4-(butylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC(C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CCCCSCCC(C(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C18H27NO6S/c1-5-6-8-26-9-7-13(18(21)22)19-17(20)12-10-14(23-2)16(25-4)15(11-12)24-3/h10-11,13H,5-9H2,1-4H3,(H,19,20)(H,21,22)