[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid [2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C28H21N3O5S MolecularWeight: 511.54844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H21N3O5S/c1-16-13-14-19(31(34)35)15-23(16)29-26(32)17(2)36-28(33)21-10-6-8-18-7-5-9-20(25(18)21)27-30-22-11-3-4-12-24(22)37-27/h3-15,17H,1-2H3,(H,29,32)