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

Systemtic Name: methyl 8-[[4-(3-azidophenyl)-1,3-thiazol-2-yl]amino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-[[4-(3-azidophenyl)thiazol-2-yl]amino]-8-oxo-octanoate CAS Name: 8-[[4-(3-azidophenyl)-2-thiazolyl]amino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[[4-(3-azidophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoate Traditional Name: 8-[[4-(3-azidophenyl)thiazol-2-yl]amino]-8-keto-caprylic acid methyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3S/c1-26-17(25)10-5-3-2-4-9-16(24)21-18-20-15(12-27-18)13-7-6-8-14(11-13)22-23-19/h6-8,11-12H,2-5,9-10H2,1H3,(H,20,21,24)