[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c22-16(19-12-5-1-3-7-14(12)21(24)25)9-27-18(23)11-26-10-17-20-13-6-2-4-8-15(13)28-17/h1-8H,9-11H2,(H,19,22)