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

Systemtic Name: methyl 2-[2-(4-methoxyphenyl)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-methoxyphenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-methoxyphenyl)-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxyphenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-methoxyphenyl)acetyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C21H22N2O4S2/c1-26-16-7-4-14(5-8-16)12-19(24)22-21-23(10-11-28-3)17-9-6-15(20(25)27-2)13-18(17)29-21/h4-9,13H,10-12H2,1-3H3