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

Systemtic Name: [2-methoxy-4-[(E)-[(4-prop-2-enoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-[(4-allyloxybenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-methoxy-4-[(E)-[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-[(4-allyloxybenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H21ClN2O5S MolecularWeight: 520.98404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)OCC=C)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC=C)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C27H21ClN2O5S/c1-3-14-34-19-11-9-18(10-12-19)26(31)30-29-16-17-8-13-21(22(15-17)33-2)35-27(32)25-24(28)20-6-4-5-7-23(20)36-25/h3-13,15-16H,1,14H2,2H3,(H,30,31)/b29-16+