(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21ClO4S MolecularWeight: 392.89634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H21ClO4S/c1-2-12-3-4-17-13(5-12)8-18(26-17)20(22)24-10-15-7-16(21)6-14-9-23-11-25-19(14)15/h6-8,12H,2-5,9-11H2,1H3/t12-/m0/s1