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

Systemtic Name: ethyl 2-[6-acetamido-2-(4-butoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(4-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(4-butoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(4-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5S/c1-4-6-13-32-19-10-7-17(8-11-19)23(30)26-24-27(15-22(29)31-5-2)20-12-9-18(25-16(3)28)14-21(20)33-24/h7-12,14H,4-6,13,15H2,1-3H3,(H,25,28)