N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)CC#C)OC

InChI

InChI=1S/C21H20N2O5S2/c1-4-11-23-16-13-17(27-2)18(28-3)14-19(16)29-21(23)22-20(24)10-12-30(25,26)15-8-6-5-7-9-15/h1,5-9,13-14H,10-12H2,2-3H3