N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2C

InChI

InChI=1S/C21H24N2O4S2/c1-3-27-17-11-7-12-18-20(17)23(2)21(28-18)22-19(24)13-8-14-29(25,26)15-16-9-5-4-6-10-16/h4-7,9-12H,3,8,13-15H2,1-2H3