S-[2-[6-[(4-acetamidophenyl)sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-[(4-acetamidophenyl)sulfonylamino]pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-[(4-acetamidophenyl)sulfonylamino]-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-[(4-acetamidophenyl)sulfonylamino]-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-[(4-acetamidophenyl)sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-[(4-acetamidophenyl)sulfonylamino]-3-pyridyl]-2-keto-ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)C(=O)CSC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)C(=O)CSC(=O)C

InChI

InChI=1S/C17H17N3O5S2/c1-11(21)19-14-4-6-15(7-5-14)27(24,25)20-17-8-3-13(9-18-17)16(23)10-26-12(2)22/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)