methyl 2-[4-fluoranyl-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-fluoranyl-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-fluoro-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-fluoro-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-amoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OC

InChI

InChI=1S/C22H23FN2O4S/c1-3-4-5-13-29-16-11-9-15(10-12-16)21(27)24-22-25(14-19(26)28-2)20-17(23)7-6-8-18(20)30-22/h6-12H,3-5,13-14H2,1-2H3