N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)C)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)C)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20ClN3O5S/c1-4-30-19-9-15(17(25(27)28)10-18(19)29-3)20(26)24-21-23-11-14(31-21)7-13-6-5-12(2)16(22)8-13/h5-6,8-11H,4,7H2,1-3H3,(H,23,24,26)