propyl (6R)-2-[(4-bromophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6R)-2-[(4-bromophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6R)-2-[(4-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(4-bromophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6R)-2-[(4-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(4-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrNO3S/c1-3-10-25-20(24)17-15-9-4-12(2)11-16(15)26-19(17)22-18(23)13-5-7-14(21)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,22,23)/t12-/m1/s1