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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-[(E)-3-phenylprop-2-enyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-[(E)-cinnamyl]sulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6-methyl-1-[[(E)-3-phenylprop-2-enyl]thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-[(E)-3-phenylprop-2-enyl]sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[[(E)-cinnamyl]thio]-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C30H24BrNO3S2 MolecularWeight: 590.55046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H24BrNO3S2/c1-3-35-29(34)24-23-18-19(2)15-16-32(23)26-25(24)28(27(33)21-11-13-22(31)14-12-21)37-30(26)36-17-7-10-20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3/b10-7+