[(2Z)-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2Z)-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-3-oxo-2-(2-thienylmethylene)benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-(2-thenylidene)coumaran-6-yl] ester Formula: C20H14O5S2 MolecularWeight: 398.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CS4)/O3

InChI

InChI=1S/C20H14O5S2/c1-13-4-7-16(8-5-13)27(22,23)25-14-6-9-17-18(11-14)24-19(20(17)21)12-15-3-2-10-26-15/h2-12H,1H3/b19-12-