2-[(4-thiomorpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: 2-[(4-thiomorpholin-4-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: 2-[(4-thiomorpholinosulfonylthiophene-2-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(4-thiomorpholin-4-ylsulfonyl-2-thiophenyl)methyl]amino]benzoate IUPAC Name: 2-[(4-thiomorpholin-4-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 2-[(4-thiomorpholinosulfonylthiophene-2-carbonyl)amino]benzoate Formula: C16H15N2O5S3- MolecularWeight: 411.4957

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CSCCN1S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C16H16N2O5S3/c19-15(17-13-4-2-1-3-12(13)16(20)21)14-9-11(10-25-14)26(22,23)18-5-7-24-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)(H,20,21)/p-1