methyl 2-[6-acetamido-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-13(24)21-15-8-9-16-17(11-15)28-20(23(16)12-19(26)27-2)22-18(25)10-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3,(H,21,24)