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

Systemtic Name: methyl 2-[2-(3-butoxyphenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-butoxybenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-butoxyphenyl)-oxomethyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-butoxybenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-butoxybenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-5-6-10-31-16-9-7-8-15(11-16)22(27)24-23-25(14-21(26)30-4)17-12-18(28-2)19(29-3)13-20(17)32-23/h7-9,11-13H,5-6,10,14H2,1-4H3