5-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-5-oxopentanoate IUPAC Name: 5-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(3-nitrophenyl)thiazol-2-yl]amino]valerate Formula: C14H12N3O5S- MolecularWeight: 334.32718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c18-12(5-2-6-13(19)20)16-14-15-11(8-23-14)9-3-1-4-10(7-9)17(21)22/h1,3-4,7-8H,2,5-6H2,(H,19,20)(H,15,16,18)/p-1