(E)-2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-3-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-3-(2-thienyl)prop-2-enoic acid CAS Name: (E)-2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-3-(2-thienyl)acrylic acid Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=CC2=CC=CS2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N/C(=C/C2=CC=CS2)/C(=O)O

InChI

InChI=1S/C17H16ClNO4S/c1-10-6-12(7-11(2)16(10)18)23-9-15(20)19-14(17(21)22)8-13-4-3-5-24-13/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)/b14-8+