[5-azanyl-3-(3-bromanylthiophen-2-yl)-4-piperidin-1-yl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl] ethanoate

Systemtic Name: [5-azanyl-3-(3-bromanylthiophen-2-yl)-4-piperidin-1-yl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl] ethanoate Openeye Name: [5-amino-3-(3-bromo-2-thienyl)-4-(1-piperidyl)-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl] acetate CAS Name: acetic acid [5-amino-3-(3-bromo-2-thiophenyl)-4-(1-piperidinyl)-3-(trifluoromethyl)-1-cyclopenta-1,4-dienyl] ester IUPAC Name: [5-amino-3-(3-bromothiophen-2-yl)-4-piperidin-1-yl-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl] acetate Traditional Name: acetic acid [5-amino-3-(3-bromo-2-thienyl)-4-piperidino-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl] ester Formula: C17H18BrF3N2O2S MolecularWeight: 451.30123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(C(=C1N)N2CCCCC2)(C3=C(C=CS3)Br)C(F)(F)F

Isomeric SMILES

CC(=O)OC1=CC(C(=C1N)N2CCCCC2)(C3=C(C=CS3)Br)C(F)(F)F

InChI

InChI=1S/C17H18BrF3N2O2S/c1-10(24)25-12-9-16(17(19,20)21,15-11(18)5-8-26-15)14(13(12)22)23-6-3-2-4-7-23/h5,8-9H,2-4,6-7,22H2,1H3