methyl 3-[6-methyl-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-methyl-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-methyl-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methyl-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-methyl-2-p-toluoylimino-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(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CCC(=O)OC

InChI

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