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

Systemtic Name: ethyl 2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-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(S2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-4-28-20(25)15-7-10-17-18(12-15)29-21(22-17)23-19(24)11-14-5-8-16(9-6-14)30(26,27)13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,22,23,24)