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

Systemtic Name: methyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(diethylamino)benzoyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(diethylamino)phenyl]-oxomethyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(diethylamino)benzoyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(diethylamino)benzoyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid methyl 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=C(C=CC=C3S2)C)CC(=O)OC

Isomeric SMILES

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

InChI

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