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

Systemtic Name: [4-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C20H14ClN3O4S MolecularWeight: 427.86086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O4S/c1-27-15-10-12(11-23-24-17(25)8-9-22)6-7-14(15)28-20(26)19-18(21)13-4-2-3-5-16(13)29-19/h2-7,10-11H,8H2,1H3,(H,24,25)/b23-11+