3-[1-ethoxy-2-(2-nitrophenyl)ethyl]sulfonyl-N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]propanamide

Systemtic Name: 3-[1-ethoxy-2-(2-nitrophenyl)ethyl]sulfonyl-N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]propanamide Openeye Name: 3-[1-ethoxy-2-(2-nitrophenyl)ethyl]sulfonyl-N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]propanamide CAS Name: 3-[1-ethoxy-2-(2-nitrophenyl)ethyl]sulfonyl-N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]propanamide IUPAC Name: 3-[1-ethoxy-2-(2-nitrophenyl)ethyl]sulfonyl-N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]propanamide Traditional Name: 3-[1-ethoxy-2-(2-nitrophenyl)ethyl]sulfonyl-N-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethyl]propionamide Formula: C22H25N3O8S2 MolecularWeight: 523.5792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)CCC(=O)NCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

CCOC(CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)CCC(=O)NCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C22H25N3O8S2/c1-2-33-19(13-15-5-3-4-6-16(15)25(29)30)35(31,32)12-10-18(27)23-11-9-14-7-8-17(26)20-21(14)34-22(28)24-20/h3-8,19,26H,2,9-13H2,1H3,(H,23,27)(H,24,28)