[4-(3-bromanylthiophen-2-yl)-2-methyl-7-thiophen-2-yl-4-(trifluoromethyl)-3H-1,2-diazepin-6-yl] ethanoate

Systemtic Name: [4-(3-bromanylthiophen-2-yl)-2-methyl-7-thiophen-2-yl-4-(trifluoromethyl)-3H-1,2-diazepin-6-yl] ethanoate Openeye Name: [4-(3-bromo-2-thienyl)-2-methyl-7-(2-thienyl)-4-(trifluoromethyl)-3H-diazepin-6-yl] acetate CAS Name: acetic acid [4-(3-bromo-2-thiophenyl)-2-methyl-7-thiophen-2-yl-4-(trifluoromethyl)-3H-diazepin-6-yl] ester IUPAC Name: [4-(3-bromothiophen-2-yl)-2-methyl-7-thiophen-2-yl-4-(trifluoromethyl)-3H-diazepin-6-yl] acetate Traditional Name: acetic acid [4-(3-bromo-2-thienyl)-2-methyl-7-(2-thienyl)-4-(trifluoromethyl)-3H-diazepin-6-yl] ester Formula: C17H14BrF3N2O2S2 MolecularWeight: 479.33447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(CN(N=C1C2=CC=CS2)C)(C3=C(C=CS3)Br)C(F)(F)F

Isomeric SMILES

CC(=O)OC1=CC(CN(N=C1C2=CC=CS2)C)(C3=C(C=CS3)Br)C(F)(F)F

InChI

InChI=1S/C17H14BrF3N2O2S2/c1-10(24)25-12-8-16(17(19,20)21,15-11(18)5-7-27-15)9-23(2)22-14(12)13-4-3-6-26-13/h3-8H,9H2,1-2H3