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

Systemtic Name: ethyl 1-[(E)-4-ethoxy-4-oxidanylidene-but-2-enyl]sulfanyl-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-[(E)-4-ethoxy-4-oxo-but-2-enyl]sulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[[(E)-4-ethoxy-4-oxobut-2-enyl]thio]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(E)-4-ethoxy-4-oxobut-2-enyl]sulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[[(E)-4-ethoxy-4-keto-but-2-enyl]thio]-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C27H25NO5S2 MolecularWeight: 507.6211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO5S2/c1-4-32-20(29)12-9-15-34-27-23-22(25(35-27)24(30)18-10-7-6-8-11-18)21(26(31)33-5-2)19-16-17(3)13-14-28(19)23/h6-14,16H,4-5,15H2,1-3H3/b12-9+