methyl 4-[2-[(3-propan-2-ylsulfanylphenyl)carbonylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[(3-propan-2-ylsulfanylphenyl)carbonylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[(3-isopropylsulfanylbenzoyl)amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[oxo-[3-(propan-2-ylthio)phenyl]methyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[3-(isopropylthio)benzoyl]amino]thiazol-4-yl]benzoic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S2/c1-13(2)28-17-6-4-5-16(11-17)19(24)23-21-22-18(12-27-21)14-7-9-15(10-8-14)20(25)26-3/h4-13H,1-3H3,(H,22,23,24)