3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanidyl-2,2-bis(phenylmethyl)-4-sulfanylidene-butanoate

Systemtic Name: 3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanidyl-2,2-bis(phenylmethyl)-4-sulfanylidene-butanoate Openeye Name: 2,2-dibenzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butanoate CAS Name: 3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxido-2,2-bis(phenylmethyl)-4-sulfanylidenebutanoate IUPAC Name: 2,2-dibenzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxido-4-sulfanylidenebutanoate Traditional Name: 2,2-dibenzyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxido-4-thioxo-butyrate Formula: C26H21NO4S2-2 MolecularWeight: 475.57924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C(C(=S)[O-])C(CC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C(C(=S)[O-])C(CC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H23NO4S2/c1-31-19-12-13-20-21(14-19)33-23(27-20)22(24(28)32)26(25(29)30,15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14,22H,15-16H2,1H3,(H,28,32)(H,29,30)/p-2