tert-butyl 2-[2,6a-dimethyl-5-oxidanylidene-4-(phenylmethyl)thieno[2,3-b]pyrrol-6-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[2,6a-dimethyl-5-oxidanylidene-4-(phenylmethyl)thieno[2,3-b]pyrrol-6-yl]oxyethanoate Openeye Name: tert-butyl 2-(4-benzyl-2,6a-dimethyl-5-oxo-thieno[2,3-b]pyrrol-6-yl)oxyacetate CAS Name: 2-[[2,6a-dimethyl-5-oxo-4-(phenylmethyl)-6-thieno[2,3-b]pyrrolyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-benzyl-2,6a-dimethyl-5-oxothieno[2,3-b]pyrrol-6-yl)oxyacetate Traditional Name: 2-(4-benzyl-5-keto-2,6a-dimethyl-thieno[2,3-b]pyrrol-6-yl)oxyacetic acid tert-butyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=O)N(C2(S1)C)OCC(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=O)N(C2(S1)C)OCC(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-14-11-17-16(12-15-9-7-6-8-10-15)19(24)22(21(17,5)27-14)25-13-18(23)26-20(2,3)4/h6-11H,12-13H2,1-5H3