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

Systemtic Name: ethyl 2-(5-chloranylthiophen-2-yl)carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-chlorothiophene-2-carbonyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H19ClN2O4S2 MolecularWeight: 438.94816

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H19ClN2O4S2/c1-3-25-10-9-22-13-6-5-12(18(24)26-4-2)11-15(13)28-19(22)21-17(23)14-7-8-16(20)27-14/h5-8,11H,3-4,9-10H2,1-2H3