2-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[(E)-3-(5-chloro-2-thienyl)acryloyl]amino]-3,3-dimethyl-butyric acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)C=CC1=CC=C(S1)Cl

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)/C=C/C1=CC=C(S1)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-13(2,3)11(12(17)18)15-10(16)7-5-8-4-6-9(14)19-8/h4-7,11H,1-3H3,(H,15,16)(H,17,18)/b7-5+