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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enyl]sulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-[(E)-4-ethoxy-4-oxo-but-2-enyl]sulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-[[(E)-4-ethoxy-4-oxobut-2-enyl]thio]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-[(E)-4-ethoxy-4-oxobut-2-enyl]sulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[[(E)-4-ethoxy-4-keto-but-2-enyl]thio]-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C27H24BrNO5S2 MolecularWeight: 586.51716

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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)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)C(=O)OCC

InChI

InChI=1S/C27H24BrNO5S2/c1-4-33-20(30)7-6-14-35-27-23-22(25(36-27)24(31)17-8-10-18(28)11-9-17)21(26(32)34-5-2)19-15-16(3)12-13-29(19)23/h6-13,15H,4-5,14H2,1-3H3/b7-6+