ethyl 2-carbamimidoylsulfanyl-1,3-bis(oxidanylidene)indene-2-carboxylate hydrochloride

Systemtic Name: ethyl 2-carbamimidoylsulfanyl-1,3-bis(oxidanylidene)indene-2-carboxylate hydrochloride Openeye Name: ethyl 2-carbamimidoylsulfanyl-1,3-dioxo-indane-2-carboxylate hydrochloride CAS Name: 2-(carbamimidoylthio)-1,3-dioxo-2-indenecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-carbamimidoylsulfanyl-1,3-dioxoindene-2-carboxylate hydrochloride Traditional Name: 2-(amidinothio)-1,3-diketo-indane-2-carboxylic acid ethyl ester hydrochloride Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)C2=CC=CC=C2C1=O)SC(=N)N.Cl

Isomeric SMILES

CCOC(=O)C1(C(=O)C2=CC=CC=C2C1=O)SC(=N)N.Cl

InChI

InChI=1S/C13H12N2O4S.ClH/c1-2-19-11(18)13(20-12(14)15)9(16)7-5-3-4-6-8(7)10(13)17;/h3-6H,2H2,1H3,(H3,14,15);1H