[(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-nitrophenyl)sulfanyl-1-phenyl-ethenyl] 4-tert-butylbenzoate

Systemtic Name: [(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-nitrophenyl)sulfanyl-1-phenyl-ethenyl] 4-tert-butylbenzoate Openeye Name: [(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-nitrophenyl)sulfanyl-1-phenyl-vinyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(Z)-2-(1,3-benzothiazol-2-yl)-2-[(2-nitrophenyl)thio]-1-phenylethenyl] ester IUPAC Name: [(Z)-2-(1,3-benzothiazol-2-yl)-2-(2-nitrophenyl)sulfanyl-1-phenylethenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(Z)-2-(1,3-benzothiazol-2-yl)-2-[(2-nitrophenyl)thio]-1-phenyl-vinyl] ester Formula: C32H26N2O4S2 MolecularWeight: 566.68984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(=C(C2=NC3=CC=CC=C3S2)SC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O/C(=C(/C2=NC3=CC=CC=C3S2)\SC4=CC=CC=C4[N+](=O)[O-])/C5=CC=CC=C5

InChI

InChI=1S/C32H26N2O4S2/c1-32(2,3)23-19-17-22(18-20-23)31(35)38-28(21-11-5-4-6-12-21)29(30-33-24-13-7-9-15-26(24)40-30)39-27-16-10-8-14-25(27)34(36)37/h4-20H,1-3H3/b29-28-