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

Systemtic Name: ethyl 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)[C@H]3COC4=CC=CC=C4O3)S2)C

InChI

InChI=1S/C20H18N2O5S/c1-3-25-19(24)12-8-9-13-17(10-12)28-20(22(13)2)21-18(23)16-11-26-14-6-4-5-7-15(14)27-16/h4-10,16H,3,11H2,1-2H3/t16-/m1/s1