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

Systemtic Name: methyl 3-prop-2-ynyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O3S2/c1-3-8-19-12-7-6-11(16(21)22-2)10-14(12)24-17(19)18-15(20)13-5-4-9-23-13/h1,4-7,9-10H,8H2,2H3