ethyl 2-(oxolan-2-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(oxolan-2-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-prop-2-ynyl-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo(2-oxolanyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(oxolane-2-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCO3)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCO3)S2)CC#C

InChI

InChI=1S/C18H18N2O4S/c1-3-9-20-13-8-7-12(17(22)23-4-2)11-15(13)25-18(20)19-16(21)14-6-5-10-24-14/h1,7-8,11,14H,4-6,9-10H2,2H3