4-[(2R)-1-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: 4-[(2R)-1-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: N-(2,5-dimethylpyrrol-1-yl)-4-[(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-methyl-2-oxo-ethoxy]benzamide CAS Name: N-(2,5-dimethyl-1-pyrrolyl)-4-[(2R)-1-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-1-oxopropan-2-yl]oxybenzamide IUPAC Name: N-(2,5-dimethylpyrrol-1-yl)-4-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]oxybenzamide Traditional Name: 4-[(1R)-2-[[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-1-methyl-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OC(C)C(=O)NC3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)O[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)C

InChI

InChI=1S/C20H25N3O5S/c1-13-4-5-14(2)23(13)22-20(25)16-6-8-18(9-7-16)28-15(3)19(24)21-17-10-11-29(26,27)12-17/h4-9,15,17H,10-12H2,1-3H3,(H,21,24)(H,22,25)/t15-,17+/m1/s1