[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-methyl-2-propan-2-yl-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-methyl-2-propan-2-yl-phenyl] 4-nitrobenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-isopropyl-5-methyl-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-isopropyl-5-methyl-phenyl] ester Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H21N3O6S/c1-14(2)19-13-20(25-23-18-6-4-5-7-22(18)34(31,32)26-23)15(3)12-21(19)33-24(28)16-8-10-17(11-9-16)27(29)30/h4-14H,1-3H3,(H,25,26)