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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzoate Openeye Name: [(2Z)-3-oxo-2-(2-thienylmethylene)benzofuran-6-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2Z)-3-keto-2-(2-thenylidene)coumaran-6-yl] ester Formula: C21H14O4S MolecularWeight: 362.39846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14O4S/c1-13-4-6-14(7-5-13)21(23)24-15-8-9-17-18(11-15)25-19(20(17)22)12-16-3-2-10-26-16/h2-12H,1H3/b19-12-