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

Systemtic Name: ethyl 4-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-methyl-but-2-enoate Openeye Name: ethyl 4-[4-[4-(3-bromophenyl)thiazol-2-yl]-1-piperidyl]-3-methyl-but-2-enoate CAS Name: 4-[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]-3-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-methylbut-2-enoate Traditional Name: 4-[4-[4-(3-bromophenyl)thiazol-2-yl]piperidino]-3-methyl-but-2-enoic acid ethyl ester Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)CN1CCC(CC1)C2=NC(=CS2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C=C(C)CN1CCC(CC1)C2=NC(=CS2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-3-26-20(25)11-15(2)13-24-9-7-16(8-10-24)21-23-19(14-27-21)17-5-4-6-18(22)12-17/h4-6,11-12,14,16H,3,7-10,13H2,1-2H3