ethyl 4-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl 4-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl 4-[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-1-piperidyl]-4-oxo-but-2-enoate CAS Name: 4-[4-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-1-piperidinyl]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobut-2-enoate Traditional Name: 4-[4-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]piperidino]-4-keto-but-2-enoic acid ethyl ester Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)N1CCC(CC1)C2=NC(=C(S2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C=CC(=O)N1CCC(CC1)C2=NC(=C(S2)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O3S/c1-3-27-19(26)9-8-18(25)24-12-10-16(11-13-24)21-23-20(14(2)28-21)15-4-6-17(22)7-5-15/h4-9,16H,3,10-13H2,1-2H3