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

Systemtic Name: methyl 2-[6-acetamido-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-amoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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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)NC(=O)C)CC(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OC

InChI

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