S-[2-oxidanylidene-2-[4-(1,2,3,4-tetrahydroquinoxalin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[4-(1,2,3,4-tetrahydroquinoxalin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[4-(1,2,3,4-tetrahydroquinoxalin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[4-(1,2,3,4-tetrahydroquinoxalin-6-ylsulfonylamino)phenyl]ethyl] ester IUPAC Name: S-[2-oxo-2-[4-(1,2,3,4-tetrahydroquinoxalin-6-ylsulfonylamino)phenyl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(1,2,3,4-tetrahydroquinoxalin-6-ylsulfonylamino)phenyl]ethyl] ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NCCN3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NCCN3

InChI

InChI=1S/C18H19N3O4S2/c1-12(22)26-11-18(23)13-2-4-14(5-3-13)21-27(24,25)15-6-7-16-17(10-15)20-9-8-19-16/h2-7,10,19-21H,8-9,11H2,1H3