[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H14ClN3O3S2 MolecularWeight: 419.90506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)N)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)N)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H14ClN3O3S2/c1-24-13-8-10(9-21-22-18(20)26)6-7-12(13)25-17(23)16-15(19)11-4-2-3-5-14(11)27-16/h2-9H,1H3,(H3,20,22,26)/b21-9+