methyl 2-[6-methyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-12-6-7-14-17(8-12)30-21(23(14)11-18(24)28-4)22-20(25)13-9-15(26-2)19(29-5)16(10-13)27-3/h6-10H,11H2,1-5H3