[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C=CC2=CSC=C2

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C18H18BrNO3S/c1-2-16(14-4-6-15(19)7-5-14)20-17(21)11-23-18(22)8-3-13-9-10-24-12-13/h3-10,12,16H,2,11H2,1H3,(H,20,21)/b8-3+/t16-/m0/s1