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

Systemtic Name: [4-[(E)-[(4-butoxyphenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-[[(4-butoxyphenyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C28H25ClN2O5S MolecularWeight: 537.0265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

InChI

InChI=1S/C28H25ClN2O5S/c1-3-4-15-35-20-12-10-19(11-13-20)27(32)31-30-17-18-9-14-22(23(16-18)34-2)36-28(33)26-25(29)21-7-5-6-8-24(21)37-26/h5-14,16-17H,3-4,15H2,1-2H3,(H,31,32)/b30-17+