3-methyl-4-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-3-(5-phenyl-2-thienyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-1-oxo-3-(5-phenyl-2-thiophenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-3-(5-phenyl-2-thienyl)acryloyl]amino]benzoic acid Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO3S/c1-14-13-16(21(24)25)7-10-18(14)22-20(23)12-9-17-8-11-19(26-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)/b12-9+