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

Systemtic Name: ethyl 3-methyl-4-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]but-2-enoate Openeye Name: ethyl 3-methyl-4-[4-[4-(2-nitrophenyl)thiazol-2-yl]-1-piperidyl]but-2-enoate CAS Name: 3-methyl-4-[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]but-2-enoate Traditional Name: 3-methyl-4-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidino]but-2-enoic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)CN1CCC(CC1)C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C=C(C)CN1CCC(CC1)C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-3-28-20(25)12-15(2)13-23-10-8-16(9-11-23)21-22-18(14-29-21)17-6-4-5-7-19(17)24(26)27/h4-7,12,14,16H,3,8-11,13H2,1-2H3