3-[4-(4-chlorophenyl)sulfanylbutanoylamino]butanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]butanoic acid Openeye Name: 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]butanoic acid CAS Name: 3-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]butanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]butanoic acid Traditional Name: 3-[4-[(4-chlorophenyl)thio]butanoylamino]butyric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-10(9-14(18)19)16-13(17)3-2-8-20-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)(H,18,19)