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

Systemtic Name: ethyl 1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enyl]sulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-[(E)-4-ethoxy-4-oxo-but-2-enyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[[(E)-4-ethoxy-4-oxobut-2-enyl]thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(E)-4-ethoxy-4-oxobut-2-enyl]sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[[(E)-4-ethoxy-4-keto-but-2-enyl]thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C26H23NO5S2 MolecularWeight: 493.59452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCSC1=C2C(=C(S1)C(=O)C3=CC=CC=C3)C(=C4N2C=CC=C4)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO5S2/c1-3-31-19(28)14-10-16-33-26-22-21(24(34-26)23(29)17-11-6-5-7-12-17)20(25(30)32-4-2)18-13-8-9-15-27(18)22/h5-15H,3-4,16H2,1-2H3/b14-10+