methyl 2-cyclohexylcarbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-cyclohexylcarbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(cyclohexanecarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[cyclohexyl(oxo)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexanecarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(cyclohexanecarbonylimino)-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCC3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCC3)S2)CC#C

InChI

InChI=1S/C19H20N2O3S/c1-3-11-21-15-10-9-14(18(23)24-2)12-16(15)25-19(21)20-17(22)13-7-5-4-6-8-13/h1,9-10,12-13H,4-8,11H2,2H3