ethyl 3-(2-methylsulfanylethyl)-2-naphthalen-1-ylcarbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-naphthalen-1-ylcarbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(naphthalene-1-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-naphthalenyl(oxo)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(naphthalene-1-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(1-naphthoylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC4=CC=CC=C43)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC4=CC=CC=C43)S2)CCSC

InChI

InChI=1S/C24H22N2O3S2/c1-3-29-23(28)17-11-12-20-21(15-17)31-24(26(20)13-14-30-2)25-22(27)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,15H,3,13-14H2,1-2H3