2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-p-cumenylacryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C21H22NO3S- MolecularWeight: 368.46928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

InChI

InChI=1S/C21H23NO3S/c1-13(2)15-10-7-14(8-11-15)9-12-18(23)22-20-19(21(24)25)16-5-3-4-6-17(16)26-20/h7-13H,3-6H2,1-2H3,(H,22,23)(H,24,25)/p-1/b12-9+