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

Systemtic Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-(ethylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-(ethylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S2/c1-3-22-20(28)24-23-11-12-8-9-14(15(10-12)26-2)27-19(25)18-17(21)13-6-4-5-7-16(13)29-18/h4-11H,3H2,1-2H3,(H2,22,24,28)/b23-11+