4-ethanoylsulfanyl-2-[(methylcarbamoylamino)-phenyl-methyl]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[(methylcarbamoylamino)-phenyl-methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(methylcarbamoylamino)-phenyl-methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[(methylcarbamoylamino)-phenylmethyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(methylcarbamoylamino)-phenylmethyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(methylcarbamoylamino)-phenyl-methyl]butyric acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NC)C(=O)O

Isomeric SMILES

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NC)C(=O)O

InChI

InChI=1S/C15H20N2O4S/c1-10(18)22-9-8-12(14(19)20)13(17-15(21)16-2)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3,(H,19,20)(H2,16,17,21)