N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(2-thienylsulfonylamino)butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-2-(2-thienylsulfonylamino)butyramide Formula: C18H21N3O4S4 MolecularWeight: 471.63704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O4S4/c1-3-25-12-6-7-13-15(11-12)28-18(19-13)20-17(22)14(8-10-26-2)21-29(23,24)16-5-4-9-27-16/h4-7,9,11,14,21H,3,8,10H2,1-2H3,(H,19,20,22)