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

Systemtic Name: 1-cyanoethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 1-cyanoethyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid 1-cyanoethyl ester Formula: C14H11N3O4S2 MolecularWeight: 349.38484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S2/c1-8-7-22-14(16-8)23-12-4-3-10(5-11(12)17(19)20)13(18)21-9(2)6-15/h3-5,7,9H,1-2H3