4-oxidanylidene-4-[5-(pyrrol-1-ylmethyl)thiophen-2-yl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=C1)CC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H13NO3S/c15-11(4-6-13(16)17)12-5-3-10(18-12)9-14-7-1-2-8-14/h1-3,5,7-8H,4,6,9H2,(H,16,17)