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

Systemtic Name: methyl 3-[2-(2,5-dimethylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,5-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,5-dimethylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,5-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,5-dimethylbenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

InChI

InChI=1S/C20H20N2O3S/c1-13-8-9-14(2)15(12-13)19(24)21-20-22(11-10-18(23)25-3)16-6-4-5-7-17(16)26-20/h4-9,12H,10-11H2,1-3H3