[4-[(E)-[(3-chloranyl-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate

Systemtic Name: [4-[(E)-[(3-chloranyl-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-[(3-chlorobenzothiophene-2-carbonyl)hydrazono]methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-[(3-chlorobenzothiophene-2-carbonyl)hydrazono]methyl]phenyl] ester Formula: C26H21ClN2O4S MolecularWeight: 492.97394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C26H21ClN2O4S/c1-2-15-32-19-13-9-18(10-14-19)26(31)33-20-11-7-17(8-12-20)16-28-29-25(30)24-23(27)21-5-3-4-6-22(21)34-24/h3-14,16H,2,15H2,1H3,(H,29,30)/b28-16+