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

Systemtic Name: (1S,2R)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c18-9-13-10-5-3-4-8-14(10)23-16(13)19-15(20)11-6-1-2-7-12(11)17(21)22/h11-12H,1-8H2,(H,19,20)(H,21,22)/p-1/t11-,12+/m1/s1