ethyl 2-[(4-propan-2-ylsulfanylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-4-25-19(24)14-7-10-16-17(11-14)27-20(21-16)22-18(23)13-5-8-15(9-6-13)26-12(2)3/h5-12H,4H2,1-3H3,(H,21,22,23)