methyl 2-[6-butyl-2-(2,5-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-butyl-2-(2,5-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-(2,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[(2,5-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-(2,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(2,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)OC)OC)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)OC)OC)S2)CC(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-5-6-7-15-8-10-18-20(12-15)31-23(25(18)14-21(26)30-4)24-22(27)17-13-16(28-2)9-11-19(17)29-3/h8-13H,5-7,14H2,1-4H3