methyl 2-[2-(4-ethanoylphenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-ethanoylphenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-acetylbenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-acetylphenyl)-oxomethyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-acetylbenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-acetylbenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C)S2)CC(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-4-14-5-10-17-18(11-14)28-21(23(17)12-19(25)27-3)22-20(26)16-8-6-15(7-9-16)13(2)24/h5-11H,4,12H2,1-3H3