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

Systemtic Name: ethyl 2-[2-(3-butoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-butoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OCC

InChI

InChI=1S/C22H24N2O4S/c1-3-5-13-28-17-10-8-9-16(14-17)21(26)23-22-24(15-20(25)27-4-2)18-11-6-7-12-19(18)29-22/h6-12,14H,3-5,13,15H2,1-2H3