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

Systemtic Name: dimethyl (2S)-2-[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]glutaric acid dimethyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C17H23NO5S/c1-10-4-6-13-11(8-10)9-14(24-13)16(20)18-12(17(21)23-3)5-7-15(19)22-2/h9-10,12H,4-8H2,1-3H3,(H,18,20)/t10-,12+/m1/s1