(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)C

InChI

InChI=1S/C17H17ClO4S/c1-3-14-10(2)4-15(23-14)17(19)21-8-12-6-13(18)5-11-7-20-9-22-16(11)12/h4-6H,3,7-9H2,1-2H3