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

Systemtic Name: methyl 2-[6-acetamido-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[2-(1-naphthalenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2-naphthalen-1-ylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CC(=O)OC

InChI

InChI=1S/C24H21N3O4S/c1-15(28)25-18-10-11-20-21(13-18)32-24(27(20)14-23(30)31-2)26-22(29)12-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13H,12,14H2,1-2H3,(H,25,28)