[2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate Openeye Name: [2-[[4-(4-hexylphenyl)thiazol-2-yl]amino]-2-oxo-1-phenyl-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[4-(4-hexylphenyl)-2-thiazolyl]amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[[4-(4-hexylphenyl)thiazol-2-yl]amino]-2-keto-1-phenyl-ethyl] ester Formula: C30H29N3O5S MolecularWeight: 543.63336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H29N3O5S/c1-2-3-4-6-10-21-15-17-22(18-16-21)26-20-39-30(31-26)32-28(34)27(23-11-7-5-8-12-23)38-29(35)24-13-9-14-25(19-24)33(36)37/h5,7-9,11-20,27H,2-4,6,10H2,1H3,(H,31,32,34)