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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

InChI

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