3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,4,5-trimethoxy-N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)S2)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)S2)CC#C

InChI

InChI=1S/C21H20N2O4S/c1-6-9-23-15-8-7-13(2)10-18(15)28-21(23)22-20(24)14-11-16(25-3)19(27-5)17(12-14)26-4/h1,7-8,10-12H,9H2,2-5H3