ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(4-carbamoyl-2-nitro-phenyl)sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[(4-carbamoyl-2-nitrophenyl)thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-carbamoyl-2-nitrophenyl)sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-carbamoyl-2-nitro-phenyl)thio]thiazol-4-yl]acetic acid ethyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S2/c1-2-22-12(18)6-9-7-23-14(16-9)24-11-4-3-8(13(15)19)5-10(11)17(20)21/h3-5,7H,2,6H2,1H3,(H2,15,19)