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

Systemtic Name: ethyl 1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-(2-ethoxy-2-oxo-ethyl)sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[(2-ethoxy-2-oxoethyl)thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(2-ethoxy-2-oxoethyl)sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[(2-ethoxy-2-keto-ethyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H21NO5S2 MolecularWeight: 467.55724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO5S2/c1-3-29-17(26)14-31-24-20-19(22(32-24)21(27)15-10-6-5-7-11-15)18(23(28)30-4-2)16-12-8-9-13-25(16)20/h5-13H,3-4,14H2,1-2H3