(3-chloranyl-1-benzothiophen-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C2=CC=CC=C2S1)Cl)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=C(C2=CC=CC=C2S1)Cl)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H19ClN2O5S2/c1-12(23-30(26,27)15-9-7-14(8-10-15)22-13(2)24)20(25)28-11-18-19(21)16-5-3-4-6-17(16)29-18/h3-10,12,23H,11H2,1-2H3,(H,22,24)/t12-/m0/s1