ethyl 3-(4-bromophenyl)carbonyl-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-[(2-ethoxy-2-oxoethyl)thio]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-(2-ethoxy-2-oxoethyl)sulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[(2-ethoxy-2-keto-ethyl)thio]-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C25H22BrNO5S2 MolecularWeight: 560.47988

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO5S2/c1-4-31-18(28)13-33-25-21-20(23(34-25)22(29)15-6-8-16(26)9-7-15)19(24(30)32-5-2)17-12-14(3)10-11-27(17)21/h6-12H,4-5,13H2,1-3H3