3-[2-[cyclopentyl(furan-2-ylmethyl)azaniumyl]ethyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-[cyclopentyl(furan-2-ylmethyl)azaniumyl]ethyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-[cyclopentyl(2-furylmethyl)ammonio]ethyl]-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-[cyclopentyl(2-furanylmethyl)ammonio]ethyl]-7-methoxycarbonyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-[cyclopentyl(furan-2-ylmethyl)azaniumyl]ethyl]-7-methoxycarbonyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[2-[cyclopentyl(2-furfuryl)ammonio]ethyl]-2-thioxo-quinazolin-4-olate Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC[NH+](CC3=CC=CO3)C4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC[NH+](CC3=CC=CO3)C4CCCC4

InChI

InChI=1S/C22H25N3O4S/c1-28-21(27)15-8-9-18-19(13-15)23-22(30)25(20(18)26)11-10-24(16-5-2-3-6-16)14-17-7-4-12-29-17/h4,7-9,12-13,16,26H,2-3,5-6,10-11,14H2,1H3