butyl 4-[2-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[5-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-amino-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-amino-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(S2)CC(=O)N)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(S2)CC(=O)N)C

InChI

InChI=1S/C19H23N3O4S2/c1-3-4-9-26-18(25)13-5-7-14(8-6-13)22-17(24)11-27-19-21-12(2)15(28-19)10-16(20)23/h5-8H,3-4,9-11H2,1-2H3,(H2,20,23)(H,22,24)