methyl 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoate Openeye Name: methyl 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoate CAS Name: 4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoate Traditional Name: 4-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-thiadiazol-5-yl]benzoic acid methyl ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NNC(=C3C=CC(=O)C=C3)S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NNC(=C3C=CC(=O)C=C3)S2

InChI

InChI=1S/C16H12N2O3S/c1-21-16(20)12-4-2-10(3-5-12)14-17-18-15(22-14)11-6-8-13(19)9-7-11/h2-9,18H,1H3