[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

CC(C)CNC(=O)COC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C13H16BrNO3S/c1-9(2)7-15-12(16)8-18-13(17)6-4-10-3-5-11(14)19-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)/b6-4+