methyl 3-[2-(2-phenoxyethanoylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2-phenoxyethanoylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-isopropyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(1-oxo-2-phenoxyethyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-phenoxyacetyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-isopropyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C22H24N2O4S/c1-15(2)16-9-10-18-19(13-16)29-22(24(18)12-11-21(26)27-3)23-20(25)14-28-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3