ethyl 3-prop-2-ynyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-prop-2-ynyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-prop-2-ynyl-2-(tetralin-6-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-prop-2-ynyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-(tetralin-6-carbonylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC#C

InChI

InChI=1S/C24H22N2O3S/c1-3-13-26-20-12-11-19(23(28)29-4-2)15-21(20)30-24(26)25-22(27)18-10-9-16-7-5-6-8-17(16)14-18/h1,9-12,14-15H,4-8,13H2,2H3