ethyl 3-[[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-methylsulfanylphenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-[4-(methylthio)phenyl]-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[4-(methylthio)phenyl]thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S2/c1-3-28-19(25)14-8-13(9-15(10-14)23(26)27)18(24)22-20-21-17(11-30-20)12-4-6-16(29-2)7-5-12/h4-11H,3H2,1-2H3,(H,21,22,24)