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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxybenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4,5-triethoxy-benzamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C

InChI

InChI=1S/C25H27N3O5S/c1-6-12-28-19-11-10-18(26-16(5)29)15-22(19)34-25(28)27-24(30)17-13-20(31-7-2)23(33-9-4)21(14-17)32-8-3/h1,10-11,13-15H,7-9,12H2,2-5H3,(H,26,29)