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

Systemtic Name: 3-[2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]ethyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-[2-furylmethyl(isopropyl)ammonio]ethyl]-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-[2-furanylmethyl(propan-2-yl)ammonio]ethyl]-7-methoxycarbonyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-[furan-2-ylmethyl(propan-2-yl)azaniumyl]ethyl]-7-methoxycarbonyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[2-[2-furfuryl(isopropyl)ammonio]ethyl]-2-thioxo-quinazolin-4-olate Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)OC)[O-])CC3=CC=CO3

Isomeric SMILES

CC(C)[NH+](CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)OC)[O-])CC3=CC=CO3

InChI

InChI=1S/C20H23N3O4S/c1-13(2)22(12-15-5-4-10-27-15)8-9-23-18(24)16-7-6-14(19(25)26-3)11-17(16)21-20(23)28/h4-7,10-11,13,24H,8-9,12H2,1-3H3