methyl 2-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: 2-[[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: 2-[[(E)-3-(5-chloro-2-thienyl)acryloyl]amino]-3-methyl-butyric acid methyl ester Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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