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

Systemtic Name: ethyl 1-[(E)-but-2-enyl]sulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-[(E)-but-2-enyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[[(E)-but-2-enyl]thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(E)-but-2-enyl]sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[[(E)-but-2-enyl]thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H21NO3S2 MolecularWeight: 435.55844

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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=CC

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO3S2/c1-3-5-15-29-24-20-19(22(30-24)21(26)16-11-7-6-8-12-16)18(23(27)28-4-2)17-13-9-10-14-25(17)20/h3,5-14H,4,15H2,1-2H3/b5-3+