methyl 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[(1-oxo-2,3,3-triphenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(2,3,3-triphenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C32H31NO3S MolecularWeight: 509.65844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H31NO3S/c1-21-18-19-25-26(20-21)37-31(29(25)32(35)36-2)33-30(34)28(24-16-10-5-11-17-24)27(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,27-28H,18-20H2,1-2H3,(H,33,34)