methyl 2-naphthalen-1-ylcarbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-naphthalen-1-ylcarbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(naphthalene-1-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-naphthalenyl(oxo)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(naphthalene-1-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-naphthoylimino)-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC4=CC=CC=C43)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC4=CC=CC=C43)S2)CC#C

InChI

InChI=1S/C23H16N2O3S/c1-3-13-25-19-12-11-16(22(27)28-2)14-20(19)29-23(25)24-21(26)18-10-6-8-15-7-4-5-9-17(15)18/h1,4-12,14H,13H2,2H3