ethyl 2-(5-chloranylthiophen-2-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(5-chloranylthiophen-2-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-chlorothiophene-2-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Cl)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Cl)S2)CC#C

InChI

InChI=1S/C18H13ClN2O3S2/c1-3-9-21-12-6-5-11(17(23)24-4-2)10-14(12)26-18(21)20-16(22)13-7-8-15(19)25-13/h1,5-8,10H,4,9H2,2H3