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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-[(E)-4-ethoxy-4-oxo-but-2-enyl]sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-[[(E)-4-ethoxy-4-oxobut-2-enyl]thio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-[(E)-4-ethoxy-4-oxobut-2-enyl]sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[[(E)-4-ethoxy-4-keto-but-2-enyl]thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C26H22BrNO5S2 MolecularWeight: 572.49058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrNO5S2/c1-3-32-19(29)9-7-15-34-26-22-21(24(35-26)23(30)16-10-12-17(27)13-11-16)20(25(31)33-4-2)18-8-5-6-14-28(18)22/h5-14H,3-4,15H2,1-2H3/b9-7+