2-[(4-butylphenyl)carbonylamino]-4-ethylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-butylphenyl)carbonylamino]-4-ethylsulfanyl-butanoic acid Openeye Name: 2-[(4-butylbenzoyl)amino]-4-ethylsulfanyl-butanoic acid CAS Name: 2-[[(4-butylphenyl)-oxomethyl]amino]-4-(ethylthio)butanoic acid IUPAC Name: 2-[(4-butylbenzoyl)amino]-4-ethylsulfanylbutanoic acid Traditional Name: 2-[(4-butylbenzoyl)amino]-4-(ethylthio)butyric acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(CCSCC)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(CCSCC)C(=O)O

InChI

InChI=1S/C17H25NO3S/c1-3-5-6-13-7-9-14(10-8-13)16(19)18-15(17(20)21)11-12-22-4-2/h7-10,15H,3-6,11-12H2,1-2H3,(H,18,19)(H,20,21)