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

Systemtic Name: methyl 2-[2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-amoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

InChI

InChI=1S/C22H24N2O4S/c1-3-4-7-13-28-17-10-8-9-16(14-17)21(26)23-22-24(15-20(25)27-2)18-11-5-6-12-19(18)29-22/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3