(3-azanyl-3-oxidanylidene-propyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (3-amino-3-oxo-propyl) 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid (3-amino-3-keto-propyl) ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCCC(=O)N

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCCC(=O)N

InChI

InChI=1S/C15H16N2O3S2/c1-10-8-21-15(17-10)22-9-11-4-2-3-5-12(11)14(19)20-7-6-13(16)18/h2-5,8H,6-7,9H2,1H3,(H2,16,18)