ethyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(diethylamino)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OCC

InChI

InChI=1S/C22H25N3O3S/c1-4-24(5-2)17-13-11-16(12-14-17)21(27)23-22-25(15-20(26)28-6-3)18-9-7-8-10-19(18)29-22/h7-14H,4-6,15H2,1-3H3