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

Systemtic Name: [2-[(E)-[(4-butoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[(E)-[[(4-butoxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]phenyl] ester Formula: C27H23ClN2O4S MolecularWeight: 507.00052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C27H23ClN2O4S/c1-2-3-16-33-20-14-12-18(13-15-20)26(31)30-29-17-19-8-4-6-10-22(19)34-27(32)25-24(28)21-9-5-7-11-23(21)35-25/h4-15,17H,2-3,16H2,1H3,(H,30,31)/b29-17+