methyl 4-(2-acetamidoethylsulfanylamino)benzoate

Systemtic Name: methyl 4-(2-acetamidoethylsulfanylamino)benzoate Openeye Name: methyl 4-(2-acetamidoethylsulfanylamino)benzoate CAS Name: 4-[(2-acetamidoethylthio)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-acetamidoethylsulfanylamino)benzoate Traditional Name: 4-[(2-acetamidoethylthio)amino]benzoic acid methyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSNC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(=O)NCCSNC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C12H16N2O3S/c1-9(15)13-7-8-18-14-11-5-3-10(4-6-11)12(16)17-2/h3-6,14H,7-8H2,1-2H3,(H,13,15)