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

Systemtic Name: methyl 3-prop-2-ynyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S/c1-3-12-25-19-11-10-18(22(27)28-2)14-20(19)29-23(25)24-21(26)17-9-8-15-6-4-5-7-16(15)13-17/h1,8-11,13-14H,4-7,12H2,2H3