(1S,2S)-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[oxo-[[3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C20H26NO5S- MolecularWeight: 392.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C20H27NO5S/c1-11(2)26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h11-13H,3-10H2,1-2H3,(H,21,22)(H,23,24)/p-1/t12-,13-/m0/s1