ethyl 2-(3-ethylsulfanylphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3-ethylsulfanylphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-ethylsulfanylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-(ethylthio)phenyl]-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-ethylsulfanylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(ethylthio)benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SCC)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SCC)S2)C

InChI

InChI=1S/C20H20N2O3S2/c1-4-25-19(24)14-9-10-16-17(12-14)27-20(22(16)3)21-18(23)13-7-6-8-15(11-13)26-5-2/h6-12H,4-5H2,1-3H3