ethyl 3-(2-methylsulfanylethyl)-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H28N2O5S3 MolecularWeight: 520.68452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CCSC

InChI

InChI=1S/C24H28N2O5S3/c1-5-31-23(28)18-8-11-20-21(15-18)33-24(26(20)12-13-32-4)25-22(27)14-17-6-9-19(10-7-17)34(29,30)16(2)3/h6-11,15-16H,5,12-14H2,1-4H3