(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H16O4S/c1-12-13-6-2-3-8-15(13)22-17(12)18(20)21-10-4-7-14(19)16-9-5-11-23-16/h2-3,5-6,8-9,11H,4,7,10H2,1H3