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

Systemtic Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-2-13-6-8-14(9-7-13)17-12-29-20(21-17)22-18(24)11-28-19(25)15-4-3-5-16(10-15)23(26)27/h3-10,12H,2,11H2,1H3,(H,21,22,24)