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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O4S/c1-8(2)15-13(19)16-11(17)7-20-12(18)6-4-9-3-5-10(14)21-9/h3-6,8H,7H2,1-2H3,(H2,15,16,17,19)/b6-4+