ethyl 6-methyl-3-(phenylcarbonyl)-1-[(E)-3-phenylprop-2-enyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 6-methyl-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-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-[[(E)-3-phenylprop-2-enyl]thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-[(E)-3-phenylprop-2-enyl]sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[[(E)-cinnamyl]thio]-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C30H25NO3S2 MolecularWeight: 511.6544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25NO3S2/c1-3-34-29(33)24-23-19-20(2)16-17-31(23)26-25(24)28(27(32)22-14-8-5-9-15-22)36-30(26)35-18-10-13-21-11-6-4-7-12-21/h4-17,19H,3,18H2,1-2H3/b13-10+