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

Systemtic Name: methyl 4-[2-(2-azanylidene-1,3-thiazol-3-yl)ethanoylamino]benzoate hydrochloride Openeye Name: methyl 4-[[2-(2-iminothiazol-3-yl)acetyl]amino]benzoate hydrochloride CAS Name: 4-[[2-(2-imino-3-thiazolyl)-1-oxoethyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 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 methyl ester hydrochloride Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S.ClH/c1-19-12(18)9-2-4-10(5-3-9)15-11(17)8-16-6-7-20-13(16)14;/h2-7,14H,8H2,1H3,(H,15,17);1H