methyl 2-[6-acetamido-2-[4-(diethylamino)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[4-(diethylamino)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-(diethylamino)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC(=O)OC

InChI

InChI=1S/C23H26N4O4S/c1-5-26(6-2)18-10-7-16(8-11-18)22(30)25-23-27(14-21(29)31-4)19-12-9-17(24-15(3)28)13-20(19)32-23/h7-13H,5-6,14H2,1-4H3,(H,24,28)