[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C14H17BrN2O4S MolecularWeight: 389.26478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C14H17BrN2O4S/c1-3-9(2)16-14(20)17-12(18)8-21-13(19)7-5-10-4-6-11(15)22-10/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)/b7-5+/t9-/m0/s1