ethyl 2-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N[C@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

InChI

InChI=1S/C21H23NO6S/c1-4-27-20(23)16-11-7-5-6-8-14(11)29-19(16)22-18-12-9-10-13(25-2)17(26-3)15(12)21(24)28-18/h9-10,18,22H,4-8H2,1-3H3/t18-/m1/s1