phenacyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid phenacyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-2-27-15-8-9-16-18(12-15)29-21(22-16)23-19(25)10-11-20(26)28-13-17(24)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,23,25)