dimethyl (2S)-2-[(3-bromanyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[(3-bromanyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[(3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)amino]pentanedioate CAS Name: (2S)-2-[[(3-bromo-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)amino]pentanedioate Traditional Name: (2S)-2-[(3-bromo-4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl)amino]glutaric acid dimethyl ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)C1=C2CCCCC2=C(S1)Br

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)C1=C2CCCCC2=C(S1)Br

InChI

InChI=1S/C16H20BrNO5S/c1-22-12(19)8-7-11(16(21)23-2)18-15(20)13-9-5-3-4-6-10(9)14(17)24-13/h11H,3-8H2,1-2H3,(H,18,20)/t11-/m0/s1