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

Systemtic Name: methyl 2-(2-ethylsulfanylphenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-ethylsulfanylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(ethylthio)phenyl]-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylsulfanylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(ethylthio)benzoyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C21H22N2O3S3/c1-4-28-17-8-6-5-7-15(17)19(24)22-21-23(11-12-27-3)16-10-9-14(20(25)26-2)13-18(16)29-21/h5-10,13H,4,11-12H2,1-3H3