[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C19H21NO3S/c1-12-10-16(13(2)20(12)14-8-9-14)17(21)11-23-19(22)15-6-4-5-7-18(15)24-3/h4-7,10,14H,8-9,11H2,1-3H3