N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(6-ethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C

InChI

InChI=1S/C22H22N2O4S2/c1-4-13-24-19-11-6-16(5-2)15-20(19)29-22(24)23-21(25)12-14-30(26,27)18-9-7-17(28-3)8-10-18/h1,6-11,15H,5,12-14H2,2-3H3