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

Systemtic Name: methyl 3-[2-(3,5-dimethoxyphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3,5-dimethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,5-dimethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3,5-dimethoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-13-5-6-17-18(9-13)29-21(23(17)8-7-19(24)28-4)22-20(25)14-10-15(26-2)12-16(11-14)27-3/h5-6,9-12H,7-8H2,1-4H3