4-chloranyl-3-[2-[1-(5-ethoxycarbonylimino-3-methyl-1,2-thiazol-4-ylidene)ethyl]hydrazinyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[1-(5-ethoxycarbonylimino-3-methyl-1,2-thiazol-4-ylidene)ethyl]hydrazinyl]benzoic acid Openeye Name: 4-chloro-3-[2-[1-(5-ethoxycarbonylimino-3-methyl-isothiazol-4-ylidene)ethyl]hydrazino]benzoic acid CAS Name: 4-chloro-3-[1-(5-ethoxycarbonylimino-3-methyl-4-isothiazolylidene)ethylhydrazo]benzoic acid IUPAC Name: 4-chloro-3-[2-[1-(5-ethoxycarbonylimino-3-methyl-1,2-thiazol-4-ylidene)ethyl]hydrazinyl]benzoic acid Traditional Name: 3-[N'-[1-(5-carbethoxyimino-3-methyl-2-isothiazolin-4-ylidene)ethyl]hydrazino]-4-chloro-benzoic acid Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C1C(=C(C)NNC2=C(C=CC(=C2)C(=O)O)Cl)C(=NS1)C

Isomeric SMILES

CCOC(=O)N=C1C(=C(C)NNC2=C(C=CC(=C2)C(=O)O)Cl)C(=NS1)C

InChI

InChI=1S/C16H17ClN4O4S/c1-4-25-16(24)18-14-13(9(3)21-26-14)8(2)19-20-12-7-10(15(22)23)5-6-11(12)17/h5-7,19-20H,4H2,1-3H3,(H,22,23)