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

Systemtic Name: ethyl 3-(phenylcarbonyl)-1-[(E)-3-phenylprop-2-enyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-[(E)-cinnamyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[[(E)-3-phenylprop-2-enyl]thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(E)-3-phenylprop-2-enyl]sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[[(E)-cinnamyl]thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H23NO3S2 MolecularWeight: 497.62782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC=CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SC/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H23NO3S2/c1-2-33-28(32)23-22-17-9-10-18-30(22)25-24(23)27(26(31)21-15-7-4-8-16-21)35-29(25)34-19-11-14-20-12-5-3-6-13-20/h3-18H,2,19H2,1H3/b14-11+