(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H17ClO5S MolecularWeight: 380.84258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H17ClO5S/c1-11-2-4-16(25-11)14(20)3-5-17(21)24-10-12-8-13(19)18-15(9-12)22-6-7-23-18/h2,4,8-9H,3,5-7,10H2,1H3