S-[2-[4-(2,3-dihydro-1H-indol-5-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(2,3-dihydro-1H-indol-5-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(indolin-5-ylsulfonylamino)phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(2,3-dihydro-1H-indol-5-ylsulfonylamino)phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(2,3-dihydro-1H-indol-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(indolin-5-ylsulfonylamino)phenyl]-2-keto-ethyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NCC3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NCC3

InChI

InChI=1S/C18H18N2O4S2/c1-12(21)25-11-18(22)13-2-4-15(5-3-13)20-26(23,24)16-6-7-17-14(10-16)8-9-19-17/h2-7,10,19-20H,8-9,11H2,1H3