ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4-methyl-2-[[(E)-1-oxo-2,3-diphenylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2,3-diphenylacryloyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C(=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C27H27NO3S/c1-3-31-27(30)24-23-18(2)11-10-16-22(23)32-26(24)28-25(29)21(20-14-8-5-9-15-20)17-19-12-6-4-7-13-19/h4-9,12-15,17-18H,3,10-11,16H2,1-2H3,(H,28,29)/b21-17+