N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide Formula: C22H22N2O5S2 MolecularWeight: 458.55048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C

InChI

InChI=1S/C22H22N2O5S2/c1-6-11-24-17-12-18(28-4)19(29-5)13-20(17)30-22(24)23-21(25)15-7-9-16(10-8-15)31(26,27)14(2)3/h1,7-10,12-14H,11H2,2-5H3