methyl 4-[[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)F

Isomeric SMILES

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)F

InChI

InChI=1S/C20H19FN2O4S/c1-3-27-12-11-23-17-15(21)5-4-6-16(17)28-20(23)22-18(24)13-7-9-14(10-8-13)19(25)26-2/h4-10H,3,11-12H2,1-2H3