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

Systemtic Name: [4-[(E)-[(3-chloranyl-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-[(3-chlorobenzothiophene-2-carbonyl)hydrazono]methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-[(3-chlorobenzothiophene-2-carbonyl)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)OC2=CC=C(C=C2)C=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCCOC1=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/C27H23ClN2O4S/c1-2-3-16-33-20-14-10-19(11-15-20)27(32)34-21-12-8-18(9-13-21)17-29-30-26(31)25-24(28)22-6-4-5-7-23(22)35-25/h4-15,17H,2-3,16H2,1H3,(H,30,31)/b29-17+