methyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-6-methyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=COCCO3)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=COCCO3)S2)CCC(=O)OC

InChI

InChI=1S/C17H18N2O5S/c1-11-3-4-12-14(9-11)25-17(19(12)6-5-15(20)22-2)18-16(21)13-10-23-7-8-24-13/h3-4,9-10H,5-8H2,1-2H3