ethyl 2-[(2-methyl-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(2-methyl-3-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-methyl-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-methyl-3-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N3O5S/c1-3-26-17(23)11-7-8-13-15(9-11)27-18(19-13)20-16(22)12-5-4-6-14(10(12)2)21(24)25/h4-9H,3H2,1-2H3,(H,19,20,22)