(9-methoxy-7-oxidanylidene-furo[3,2-g]chromen-4-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (9-methoxy-7-oxidanylidene-furo[3,2-g]chromen-4-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(9-methoxy-7-oxo-furo[3,2-g]chromen-4-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (9-methoxy-7-oxo-4-furo[3,2-g][1]benzopyranyl)methyl ester hydrochloride IUPAC Name: (9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(7-keto-9-methoxy-furo[3,2-g]chromen-4-yl)methyl]isothiourea hydrochloride Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C3=C1OC=C3)CSC(=N)N)C=CC(=O)O2.Cl

Isomeric SMILES

COC1=C2C(=C(C3=C1OC=C3)CSC(=N)N)C=CC(=O)O2.Cl

InChI

InChI=1S/C14H12N2O4S.ClH/c1-18-13-11-8(4-5-19-11)9(6-21-14(15)16)7-2-3-10(17)20-12(7)13;/h2-5H,6H2,1H3,(H3,15,16);1H