ethyl (6S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO5S/c1-3-25-21(24)18-14-6-4-12(2)10-17(14)28-20(18)22-19(23)13-5-7-15-16(11-13)27-9-8-26-15/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,22,23)/t12-/m0/s1