methyl 4-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: methyl 4-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: methyl 4-[5-[(E)-(carbamothioylhydrazono)methyl]-2-furyl]-2-chloro-benzoate CAS Name: 4-[5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-furanyl]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 2-chloro-4-[5-[(E)-(thiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid methyl ester Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=S)N)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=CC=C(O2)/C=N/NC(=S)N)Cl

InChI

InChI=1S/C14H12ClN3O3S/c1-20-13(19)10-4-2-8(6-11(10)15)12-5-3-9(21-12)7-17-18-14(16)22/h2-7H,1H3,(H3,16,18,22)/b17-7+