methyl 2-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-pentanoate Openeye Name: methyl 2-[[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]-4-methylpentanoate Traditional Name: 2-[[(E)-3-(5-chloro-2-thienyl)acryloyl]amino]-4-methyl-valeric acid methyl ester Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3S/c1-9(2)8-11(14(18)19-3)16-13(17)7-5-10-4-6-12(15)20-10/h4-7,9,11H,8H2,1-3H3,(H,16,17)/b7-5+