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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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