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

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(3-propan-2-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-isopropylsulfonylbenzoyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-(3-propan-2-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-isopropylsulfonylbenzoyl)imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC(=O)OC

InChI

InChI=1S/C22H22N2O7S2/c1-13(2)33(28,29)16-7-5-6-14(10-16)20(26)23-22-24(12-19(25)30-3)17-9-8-15(21(27)31-4)11-18(17)32-22/h5-11,13H,12H2,1-4H3