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

Systemtic Name: methyl 2-[6-acetamido-2-(4-butoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-4-5-12-31-18-9-6-16(7-10-18)22(29)25-23-26(14-21(28)30-3)19-11-8-17(24-15(2)27)13-20(19)32-23/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,27)