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

Systemtic Name: methyl 2-[6-acetamido-2-(4-phenylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[oxo-(4-phenylphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-phenylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S2)CC(=O)OC

InChI

InChI=1S/C25H21N3O4S/c1-16(29)26-20-12-13-21-22(14-20)33-25(28(21)15-23(30)32-2)27-24(31)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,26,29)