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

Systemtic Name: methyl 3-[2-(3-butoxyphenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-butoxybenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3-butoxyphenyl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-butoxybenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3-butoxybenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

InChI

InChI=1S/C24H28N2O6S/c1-5-6-14-32-17-9-7-8-16(15-17)23(28)25-24-26(13-12-20(27)31-4)21-18(29-2)10-11-19(30-3)22(21)33-24/h7-11,15H,5-6,12-14H2,1-4H3