methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H17N3O5S/c1-13-3-8-19-20(9-13)32-22(25-19)14-4-6-17(7-5-14)24-21(27)15-10-16(23(28)31-2)12-18(11-15)26(29)30/h3-12H,1-2H3,(H,24,27)