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

Systemtic Name: (6R)-2-[(4-bromophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6R)-2-[(4-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6R)-2-[[(4-bromophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6R)-2-[(4-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6R)-2-[(4-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3S/c1-9-2-7-12-13(8-9)23-16(14(12)17(21)22)19-15(20)10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20)(H,21,22)/t9-/m1/s1