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

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O6S/c1-5-7-8-17-34-19-11-9-18(10-12-19)25(30)27-26-28(16-15-22(29)33-6-2)23-20(31-3)13-14-21(32-4)24(23)35-26/h9-14H,5-8,15-17H2,1-4H3