methyl 3-(2-methylsulfanylethyl)-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[2-(1-naphthalenyl)-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(2-naphthalen-1-ylacetyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CCSC

InChI

InChI=1S/C24H22N2O3S2/c1-29-23(28)18-10-11-20-21(14-18)31-24(26(20)12-13-30-2)25-22(27)15-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14H,12-13,15H2,1-2H3