methyl 3-[5-methoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[5-methoxy-2-(4-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[5-methoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5-methoxy-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-methoxy-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(5-methoxy-2-p-toluoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-13-4-6-14(7-5-13)19(24)21-20-22(11-10-18(23)26-3)16-12-15(25-2)8-9-17(16)27-20/h4-9,12H,10-11H2,1-3H3