butyl 4-[2-(2-azanylidene-1,3-thiazol-3-yl)ethanoylamino]benzoate hydrochloride

Systemtic Name: butyl 4-[2-(2-azanylidene-1,3-thiazol-3-yl)ethanoylamino]benzoate hydrochloride Openeye Name: butyl 4-[[2-(2-iminothiazol-3-yl)acetyl]amino]benzoate hydrochloride CAS Name: 4-[[2-(2-imino-3-thiazolyl)-1-oxoethyl]amino]benzoic acid butyl ester hydrochloride IUPAC Name: butyl 4-[[2-(2-imino-1,3-thiazol-3-yl)acetyl]amino]benzoate hydrochloride Traditional Name: 4-[[2-(2-imino-4-thiazolin-3-yl)acetyl]amino]benzoic acid butyl ester hydrochloride Formula: C16H20ClN3O3S MolecularWeight: 369.8663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CSC2=N.Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CSC2=N.Cl

InChI

InChI=1S/C16H19N3O3S.ClH/c1-2-3-9-22-15(21)12-4-6-13(7-5-12)18-14(20)11-19-8-10-23-16(19)17;/h4-8,10,17H,2-3,9,11H2,1H3,(H,18,20);1H