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

Systemtic Name: 4-propylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid Openeye Name: 4-propylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4-(propylthio)butanoic acid IUPAC Name: 4-propylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid Traditional Name: 4-(propylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid Formula: C17H25NO6S MolecularWeight: 371.4485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO6S/c1-5-7-25-8-6-12(17(20)21)18-16(19)11-9-13(22-2)15(24-4)14(10-11)23-3/h9-10,12H,5-8H2,1-4H3,(H,18,19)(H,20,21)