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

Systemtic Name: methyl 3-ethyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[3-[(4-methoxyphenyl)thio]propanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O4S2/c1-4-23-17-10-5-14(20(25)27-3)13-18(17)29-21(23)22-19(24)11-12-28-16-8-6-15(26-2)7-9-16/h5-10,13H,4,11-12H2,1-3H3