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

Systemtic Name: methyl 2-[(3-propan-2-ylsulfanylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-isopropylsulfanylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-[3-(propan-2-ylthio)phenyl]methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-propan-2-ylsulfanylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[3-(isopropylthio)benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S2/c1-11(2)25-14-6-4-5-12(9-14)17(22)21-19-20-15-8-7-13(18(23)24-3)10-16(15)26-19/h4-11H,1-3H3,(H,20,21,22)