sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxidanylidene-4-phenyl-but-2-enoate

Systemtic Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclohexylmethyl)-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (Z)-3-(cyclohexylmethyl)-4-keto-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C23H21N2NaO3S MolecularWeight: 428.47921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=C(C2=CC3=NSN=C3C=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1CCC(CC1)C/C(=C(\C2=CC3=NSN=C3C=C2)/C(=O)[O-])/C(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H22N2O3S.Na/c26-22(16-9-5-2-6-10-16)18(13-15-7-3-1-4-8-15)21(23(27)28)17-11-12-19-20(14-17)25-29-24-19;/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H,27,28);/q;+1/p-1/b21-18-;