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

Systemtic Name: propan-2-yl (6R)-2-[(4-bromophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(C=C3)Br

InChI

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