ethyl 3-prop-2-ynyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-prop-2-ynyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-prop-2-ynyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo(thiophen-2-yl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-prop-2-ynyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-(2-thenoylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CC#C

InChI

InChI=1S/C18H14N2O3S2/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/h1,5-8,10-11H,4,9H2,2H3