propyl 6-methyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 6-methyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 6-methyl-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 6-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-phenyl-2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C27H29NO3S2 MolecularWeight: 479.65406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3S2/c1-3-16-31-27(30)23-21-15-14-18(2)17-22(21)33-26(23)28-25(29)24(19-10-6-4-7-11-19)32-20-12-8-5-9-13-20/h4-13,18,24H,3,14-17H2,1-2H3,(H,28,29)