ethyl 1-azanyl-2-(4-bromophenyl)carbonyl-7,9-dimethyl-thieno[3,2-a]indolizine-4-carboxylate

Systemtic Name: ethyl 1-azanyl-2-(4-bromophenyl)carbonyl-7,9-dimethyl-thieno[3,2-a]indolizine-4-carboxylate Openeye Name: ethyl 1-amino-2-(4-bromobenzoyl)-7,9-dimethyl-thieno[3,2-a]indolizine-4-carboxylate CAS Name: 1-amino-2-[(4-bromophenyl)-oxomethyl]-7,9-dimethyl-4-thieno[3,2-a]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-2-(4-bromobenzoyl)-7,9-dimethylthieno[3,2-a]indolizine-4-carboxylate Traditional Name: 1-amino-2-(4-bromobenzoyl)-7,9-dimethyl-thien[3,2-a]indolizine-4-carboxylic acid ethyl ester Formula: C22H19BrN2O3S MolecularWeight: 471.36686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=C(S2)C(=O)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=C(S2)C(=O)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C22H19BrN2O3S/c1-4-28-22(27)18-20-15(17-12(3)9-11(2)10-25(17)18)16(24)21(29-20)19(26)13-5-7-14(23)8-6-13/h5-10H,4,24H2,1-3H3