methyl 8-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-8-oxidanylidene-octanoate

Systemtic Name: methyl 8-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-8-oxo-octanoate CAS Name: 8-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoate Traditional Name: 8-keto-8-[[4-(3-nitrophenyl)thiazol-2-yl]amino]caprylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCCC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-26-17(23)10-5-3-2-4-9-16(22)20-18-19-15(12-27-18)13-7-6-8-14(11-13)21(24)25/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,20,22)