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

Systemtic Name: ethyl 2-cyclohexylcarbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(cyclohexanecarbonylimino)-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-3-12-22-16-11-10-15(19(24)25-4-2)13-17(16)26-20(22)21-18(23)14-8-6-5-7-9-14/h1,10-11,13-14H,4-9,12H2,2H3