4-methylsulfanyl-2-[(3-pyrrol-1-ylthiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3-pyrrol-1-ylthiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butyric acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=CS1)N2C=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=CS1)N2C=CC=C2

InChI

InChI=1S/C14H16N2O3S2/c1-20-8-4-10(14(18)19)15-13(17)12-11(5-9-21-12)16-6-2-3-7-16/h2-3,5-7,9-10H,4,8H2,1H3,(H,15,17)(H,18,19)