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

Systemtic Name: [4-[(E)-[(4-butoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-[(4-butoxybenzoyl)hydrazono]methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-[[(4-butoxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(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=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

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

InChI

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