(1S,2R)-2-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

InChI

InChI=1S/C17H17ClN2O4S/c18-13-11-7-3-4-8-12(11)25-14(13)16(22)20-19-15(21)9-5-1-2-6-10(9)17(23)24/h3-4,7-10H,1-2,5-6H2,(H,19,21)(H,20,22)(H,23,24)/t9-,10+/m1/s1