[4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H15ClO4S MolecularWeight: 398.8594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=CS3

InChI

InChI=1S/C21H15ClO4S/c1-25-19-13-14(4-10-17(23)15-6-8-16(22)9-7-15)5-11-18(19)26-21(24)20-3-2-12-27-20/h2-13H,1H3/b10-4+