3-methyl-4-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-3-[4-(methylthio)phenyl]acryloyl]amino]benzoic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H17NO3S/c1-12-11-14(18(21)22)6-9-16(12)19-17(20)10-5-13-3-7-15(23-2)8-4-13/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-5+