ethyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(2-methylthiazol-4-yl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(2-methyl-4-thiazolyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-methylthiazol-4-yl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C3=CSC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C3=CSC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-3-29-21(26)17-8-16(9-18(10-17)24(27)28)20(25)22-11-14-4-6-15(7-5-14)19-12-30-13(2)23-19/h4-10,12H,3,11H2,1-2H3,(H,22,25)