ethyl 3-(2-ethoxyethyl)-2-(4-fluorophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-(4-fluorophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(4-fluorobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[(4-fluorophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(4-fluorobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(4-fluorobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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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(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4S/c1-3-27-12-11-24-17-10-7-15(20(26)28-4-2)13-18(17)29-21(24)23-19(25)14-5-8-16(22)9-6-14/h5-10,13H,3-4,11-12H2,1-2H3