N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C21H20N2O4S2/c1-3-12-23-18-10-9-17(27-2)14-19(18)28-21(23)22-20(24)11-13-29(25,26)15-16-7-5-4-6-8-16/h1,4-10,14H,11-13,15H2,2H3