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

Systemtic Name: methyl (6S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21NO5S/c1-11-3-5-13-16(9-11)27-19(17(13)20(23)24-2)21-18(22)12-4-6-14-15(10-12)26-8-7-25-14/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,21,22)/t11-/m0/s1