2-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)NC(CCSC)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NC(CCSC)C(=O)O)Cl

InChI

InChI=1S/C15H18ClNO3S/c1-10-3-4-11(9-12(10)16)5-6-14(18)17-13(15(19)20)7-8-21-2/h3-6,9,13H,7-8H2,1-2H3,(H,17,18)(H,19,20)/b6-5+