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

Systemtic Name: [4-[(E)-[(3-chloranyl-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-[(3-chlorobenzothiophene-2-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-[(3-chlorobenzothiophene-2-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C28H25ClN2O5S MolecularWeight: 537.0265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

InChI

InChI=1S/C28H25ClN2O5S/c1-3-4-15-35-20-12-10-19(11-13-20)28(33)36-22-14-9-18(16-23(22)34-2)17-30-31-27(32)26-25(29)21-7-5-6-8-24(21)37-26/h5-14,16-17H,3-4,15H2,1-2H3,(H,31,32)/b30-17+