ethyl 4-acetamido-3-[(2-chloranyl-4-methylsulfanyl-phenyl)methylamino]benzoate

Systemtic Name: ethyl 4-acetamido-3-[(2-chloranyl-4-methylsulfanyl-phenyl)methylamino]benzoate Openeye Name: ethyl 4-acetamido-3-[(2-chloro-4-methylsulfanyl-phenyl)methylamino]benzoate CAS Name: 4-acetamido-3-[[2-chloro-4-(methylthio)phenyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-[(2-chloro-4-methylsulfanylphenyl)methylamino]benzoate Traditional Name: 4-acetamido-3-[[2-chloro-4-(methylthio)benzyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C=C(C=C2)SC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C=C(C=C2)SC)Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-4-25-19(24)13-6-8-17(22-12(2)23)18(9-13)21-11-14-5-7-15(26-3)10-16(14)20/h5-10,21H,4,11H2,1-3H3,(H,22,23)