methyl 3-[6-methyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-methyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-isopropoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methyl-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-isopropoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-14(2)28-17-8-6-16(7-9-17)21(26)23-22-24(12-11-20(25)27-4)18-10-5-15(3)13-19(18)29-22/h5-10,13-14H,11-12H2,1-4H3