methyl 2-(2,2-diphenylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,2-diphenylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxo-2,2-diphenylethyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C26H20N2O3S/c1-3-16-28-21-15-14-20(25(30)31-2)17-22(21)32-26(28)27-24(29)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h1,4-15,17,23H,16H2,2H3