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

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-15-11-19(16(2)24(15)13-18-9-6-10-29-18)20(25)14-28-21(26)12-23-22(27)17-7-4-3-5-8-17/h3-11H,12-14H2,1-2H3,(H,23,27)