methyl 2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(4-isopropylsulfanylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-[4-(propan-2-ylthio)phenyl]ethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[4-(isopropylthio)phenyl]acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O3S2/c1-12(2)26-15-7-4-13(5-8-15)10-18(23)22-20-21-16-9-6-14(19(24)25-3)11-17(16)27-20/h4-9,11-12H,10H2,1-3H3,(H,21,22,23)