2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-12-10-15(13(2)19(12)8-9-23-3)16(20)11-24-17-7-5-4-6-14(17)18(21)22/h4-7,10H,8-9,11H2,1-3H3,(H,21,22)