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

Systemtic Name: methyl 3-[6-methoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-methoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methoxy-2-[(3-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-methoxy-2-m-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=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CCC(=O)OC

Isomeric SMILES

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

InChI

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