ethyl 2-[6-chloranyl-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-amoxybenzoyl)imino-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OCC

InChI

InChI=1S/C23H25ClN2O4S/c1-3-5-6-13-30-18-10-7-16(8-11-18)22(28)25-23-26(15-21(27)29-4-2)19-12-9-17(24)14-20(19)31-23/h7-12,14H,3-6,13,15H2,1-2H3