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

Systemtic Name: ethyl 2-(5-chloranylthiophen-2-yl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-chlorothiophene-2-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S2/c1-3-25-17(23)11-4-5-12-14(10-11)27-18(21(12)8-9-24-2)20-16(22)13-6-7-15(19)26-13/h4-7,10H,3,8-9H2,1-2H3