1,3-benzodioxol-5-yl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16O4S/c1-10-2-5-15-11(6-10)7-16(22-15)17(18)21-12-3-4-13-14(8-12)20-9-19-13/h3-4,7-8,10H,2,5-6,9H2,1H3/t10-/m0/s1