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

Systemtic Name: methyl 2-[2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-amoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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