4-(4-methylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: 4-(4-methylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-thiophenecarboxylate IUPAC Name: 4-(4-methylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]-4-(p-tolyl)-3-thenoate Formula: C21H16NO3S- MolecularWeight: 362.42164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)[O-])NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)[O-])NC(=O)/C=C/C3=CC=CC=C3

InChI

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