prop-2-ynyl 3-(carbamimidoylsulfanylmethyl)benzoate hydrochloride

Systemtic Name: prop-2-ynyl 3-(carbamimidoylsulfanylmethyl)benzoate hydrochloride Openeye Name: prop-2-ynyl 3-(carbamimidoylsulfanylmethyl)benzoate hydrochloride CAS Name: 3-[(carbamimidoylthio)methyl]benzoic acid prop-2-ynyl ester hydrochloride IUPAC Name: prop-2-ynyl 3-(carbamimidoylsulfanylmethyl)benzoate hydrochloride Traditional Name: 3-[(amidinothio)methyl]benzoic acid propargyl ester hydrochloride Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)C1=CC(=CC=C1)CSC(=N)N.Cl

Isomeric SMILES

C#CCOC(=O)C1=CC(=CC=C1)CSC(=N)N.Cl

InChI

InChI=1S/C12H12N2O2S.ClH/c1-2-6-16-11(15)10-5-3-4-9(7-10)8-17-12(13)14;/h1,3-5,7H,6,8H2,(H3,13,14);1H