methyl 2-[5,7-dimethyl-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,7-dimethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,7-dimethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CC(=O)OC)C

InChI

InChI=1S/C20H20N2O4S/c1-13-9-14(2)19-16(10-13)22(11-18(24)25-3)20(27-19)21-17(23)12-26-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3