4-(3-methyl-5-pyrrol-1-yl-thiophen-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-methyl-5-pyrrol-1-yl-thiophen-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-methyl-5-pyrrol-1-yl-2-thienyl)-4-oxo-butanoic acid CAS Name: 4-[3-methyl-5-(1-pyrrolyl)-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-(3-methyl-5-pyrrol-1-ylthiophen-2-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(3-methyl-5-pyrrol-1-yl-2-thienyl)butyric acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)N2C=CC=C2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(SC(=C1)N2C=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H13NO3S/c1-9-8-11(14-6-2-3-7-14)18-13(9)10(15)4-5-12(16)17/h2-3,6-8H,4-5H2,1H3,(H,16,17)