[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C17H22BrNO3S/c1-12(17(21)19-13-6-4-2-3-5-7-13)22-16(20)11-9-14-8-10-15(18)23-14/h8-13H,2-7H2,1H3,(H,19,21)/b11-9+/t12-/m1/s1