methyl 3-[2-(4-tert-butylphenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-tert-butylphenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-tert-butylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-tert-butylphenyl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-tert-butylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-tert-butylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

InChI

InChI=1S/C24H28N2O5S/c1-24(2,3)16-9-7-15(8-10-16)22(28)25-23-26(14-13-19(27)31-6)20-17(29-4)11-12-18(30-5)21(20)32-23/h7-12H,13-14H2,1-6H3