2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]benzoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H17NO3S/c1-10-8-13(11(2)17(10)3)14(18)9-21-15-7-5-4-6-12(15)16(19)20/h4-8H,9H2,1-3H3,(H,19,20)