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

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-amoxybenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

InChI

InChI=1S/C25H30N2O6S/c1-5-6-7-16-33-18-10-8-17(9-11-18)24(29)26-25-27(15-14-21(28)32-4)22-19(30-2)12-13-20(31-3)23(22)34-25/h8-13H,5-7,14-16H2,1-4H3