methyl 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC(=O)OC

InChI

InChI=1S/C21H19N3O6S/c1-12(25)22-14-4-5-15-18(10-14)31-21(24(15)11-19(26)28-2)23-20(27)13-3-6-16-17(9-13)30-8-7-29-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)