ethyl 2-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-4-26-17(24)12-5-10-15-16(11-12)28-19(22-15)23-18(25)20(2,3)27-14-8-6-13(21)7-9-14/h5-11H,4H2,1-3H3,(H,22,23,25)