methyl 2-[2,5-bis(chloranyl)thiophen-3-yl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2,5-bis(chloranyl)thiophen-3-yl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,5-dichlorothiophene-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,5-dichloro-3-thiophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,5-dichlorothiophene-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,5-dichlorothiophene-3-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H10Cl2N2O3S2 MolecularWeight: 425.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10Cl2N2O3S2/c1-3-6-21-11-5-4-9(16(23)24-2)7-12(11)25-17(21)20-15(22)10-8-13(18)26-14(10)19/h1,4-5,7-8H,6H2,2H3