ethyl 3-(4-bromophenyl)carbonyl-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-(2-ethoxy-2-oxo-ethyl)sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-[(2-ethoxy-2-oxoethyl)thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-(2-ethoxy-2-oxoethyl)sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[(2-ethoxy-2-keto-ethyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H20BrNO5S2 MolecularWeight: 546.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C(=C(S1)C(=O)C3=CC=C(C=C3)Br)C(=C4N2C=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=C2C(=C(S1)C(=O)C3=CC=C(C=C3)Br)C(=C4N2C=CC=C4)C(=O)OCC

InChI

InChI=1S/C24H20BrNO5S2/c1-3-30-17(27)13-32-24-20-19(22(33-24)21(28)14-8-10-15(25)11-9-14)18(23(29)31-4-2)16-7-5-6-12-26(16)20/h5-12H,3-4,13H2,1-2H3