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

Systemtic Name: ethyl 2-[2-(3-butoxyphenyl)carbonylimino-6-chloranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-butoxybenzoyl)imino-6-chloro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-butoxyphenyl)-oxomethyl]imino-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-butoxybenzoyl)imino-6-chloro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-butoxybenzoyl)imino-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OCC

InChI

InChI=1S/C22H23ClN2O4S/c1-3-5-11-29-17-8-6-7-15(12-17)21(27)24-22-25(14-20(26)28-4-2)18-10-9-16(23)13-19(18)30-22/h6-10,12-13H,3-5,11,14H2,1-2H3