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

Systemtic Name: ethyl 2-[2,5-bis(chloranyl)thiophen-3-yl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H12Cl2N2O3S2 MolecularWeight: 439.33548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl2N2O3S2/c1-3-7-22-12-6-5-10(17(24)25-4-2)8-13(12)26-18(22)21-16(23)11-9-14(19)27-15(11)20/h1,5-6,8-9H,4,7H2,2H3