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

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

Isomeric SMILES

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

InChI

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