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

Systemtic Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclopentylmethyl)-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclopentylmethyl)-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclopentylmethyl)-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-(cyclopentylmethyl)-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (Z)-3-(cyclopentylmethyl)-4-keto-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C22H19N2NaO3S MolecularWeight: 414.45263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=C(C2=CC3=NSN=C3C=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1CCC(C1)C/C(=C(\C2=CC3=NSN=C3C=C2)/C(=O)[O-])/C(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C22H20N2O3S.Na/c25-21(15-8-2-1-3-9-15)17(12-14-6-4-5-7-14)20(22(26)27)16-10-11-18-19(13-16)24-28-23-18;/h1-3,8-11,13-14H,4-7,12H2,(H,26,27);/q;+1/p-1/b20-17-;