[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate Openeye Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CS3)C

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CS3)C

InChI

InChI=1S/C23H25NO4S2/c1-4-30(27)22-10-6-5-9-19(22)23(26)28-15-21(25)20-14-16(2)24(17(20)3)12-11-18-8-7-13-29-18/h5-10,13-14H,4,11-12,15H2,1-3H3