tert-butyl 2-[2-(5-methylthiophen-2-yl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate

Systemtic Name: tert-butyl 2-[2-(5-methylthiophen-2-yl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate Openeye Name: tert-butyl 2-[2-(5-methyl-2-thienyl)cyclopropyl]-4-oxo-3-propyl-chromene-6-carboxylate CAS Name: 2-[2-(5-methyl-2-thiophenyl)cyclopropyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(5-methylthiophen-2-yl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate Traditional Name: 4-keto-2-[2-(5-methyl-2-thienyl)cyclopropyl]-3-propyl-chromene-6-carboxylic acid tert-butyl ester Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OC(C)(C)C)C3CC3C4=CC=C(S4)C

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OC(C)(C)C)C3CC3C4=CC=C(S4)C

InChI

InChI=1S/C25H28O4S/c1-6-7-16-22(26)19-12-15(24(27)29-25(3,4)5)9-10-20(19)28-23(16)18-13-17(18)21-11-8-14(2)30-21/h8-12,17-18H,6-7,13H2,1-5H3