methyl 4-[(E)-[(3Z)-2-oxidanylidene-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(3Z)-2-oxidanylidene-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[(3Z)-2-oxo-3-(2-thienylmethylene)cyclohexylidene]methyl]benzoate CAS Name: 4-[(E)-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]benzoate Traditional Name: 4-[(E)-[(3Z)-2-keto-3-(2-thenylidene)cyclohexylidene]methyl]benzoic acid methyl ester Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2CCCC(=CC3=CC=CS3)C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/2\CCC/C(=C/C3=CC=CS3)/C2=O

InChI

InChI=1S/C20H18O3S/c1-23-20(22)15-9-7-14(8-10-15)12-16-4-2-5-17(19(16)21)13-18-6-3-11-24-18/h3,6-13H,2,4-5H2,1H3/b16-12+,17-13-