methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(4-methoxyphenyl)thio]propanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N2O4S2/c1-22-16-9-4-13(19(24)26-3)12-17(16)28-20(22)21-18(23)10-11-27-15-7-5-14(25-2)6-8-15/h4-9,12H,10-11H2,1-3H3