[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)CNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)CNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O5S2/c1-15-11-18(16(2)23(15)13-17-7-4-3-5-8-17)19(24)14-28-20(25)12-22-30(26,27)21-9-6-10-29-21/h3-11,22H,12-14H2,1-2H3