(1S,6R)-6-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H14ClN2O4S- MolecularWeight: 377.82206

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)[O-]

InChI

InChI=1S/C17H15ClN2O4S/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/h1-4,7-10H,5-6H2,(H,19,21)(H,20,22)(H,23,24)/p-1/t9-,10+/m1/s1