N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

InChI

InChI=1S/C22H22N2O6S2/c1-5-13-24-20-17(29-3)10-11-18(30-4)21(20)31-22(24)23-19(25)12-14-32(26,27)16-8-6-15(28-2)7-9-16/h1,6-11H,12-14H2,2-4H3