propan-2-yl (6R)-6-phenyl-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl (6R)-6-phenyl-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl (6R)-6-phenyl-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6R)-6-phenyl-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-phenyl-2-[(3-phenylpropioloyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CC[C@H](C2)C3=CC=CC=C3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3S/c1-18(2)31-27(30)25-22-15-14-21(20-11-7-4-8-12-20)17-23(22)32-26(25)28-24(29)16-13-19-9-5-3-6-10-19/h3-12,18,21H,14-15,17H2,1-2H3,(H,28,29)/t21-/m1/s1