3-cyanopropyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: 3-cyanopropyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 3-cyanopropyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid 3-cyanopropyl ester Formula: C15H13N3O4S2 MolecularWeight: 363.41142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S2/c1-10-9-23-15(17-10)24-13-5-4-11(18(20)21)8-12(13)14(19)22-7-3-2-6-16/h4-5,8-9H,2-3,7H2,1H3