(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (6-chloro-4H-1,3-benzodioxin-8-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=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

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