2-[[(E)-3-(4-bromophenyl)-3-(4-methylthiophen-3-yl)prop-2-enyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-(4-bromophenyl)-3-(4-methylthiophen-3-yl)prop-2-enyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-(4-bromophenyl)-3-(4-methyl-3-thienyl)allyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-3-(4-bromophenyl)-3-(4-methyl-3-thiophenyl)prop-2-enyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-3-(4-bromophenyl)-3-(4-methylthiophen-3-yl)prop-2-enyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-3-(4-bromophenyl)-3-(4-methyl-3-thienyl)allyl]-methyl-amino]acetic acid Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=C1C(=CCN(C)CC(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CSC=C1/C(=C/CN(C)CC(=O)O)/C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO2S/c1-12-10-22-11-16(12)15(7-8-19(2)9-17(20)21)13-3-5-14(18)6-4-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)/b15-7+