1,3-benzothiazol-2-ylmethyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-2-3-12-26-16-10-8-15(9-11-16)21(25)22-13-20(24)27-14-19-23-17-6-4-5-7-18(17)28-19/h4-11H,2-3,12-14H2,1H3,(H,22,25)