methyl 3-ethyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-(4-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(4-isopropylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(4-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(4-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(4-isopropylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H22N2O5S2/c1-5-23-17-11-8-15(20(25)28-4)12-18(17)29-21(23)22-19(24)14-6-9-16(10-7-14)30(26,27)13(2)3/h6-13H,5H2,1-4H3