ethyl 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O5S/c1-3-23-14-10-9-13(20(25)26-4-2)11-18(14)29-21(23)22-19(24)17-12-27-15-7-5-6-8-16(15)28-17/h5-11,17H,3-4,12H2,1-2H3/t17-/m1/s1