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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,4-diethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(3,4-diethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C21H22N2O5S/c1-3-26-16-10-9-14(11-17(16)27-4-2)21(25)22-12-20(24)28-13-19-23-15-7-5-6-8-18(15)29-19/h5-11H,3-4,12-13H2,1-2H3,(H,22,25)