7-methoxycarbonyl-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-isobutyl-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-(2-methylpropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-3-(2-methylpropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-isobutyl-2-thioxo-quinazolin-4-olate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)OC)[O-]

Isomeric SMILES

CC(C)CN1C(=C2C=CC(=CC2=NC1=S)C(=O)OC)[O-]

InChI

InChI=1S/C14H16N2O3S/c1-8(2)7-16-12(17)10-5-4-9(13(18)19-3)6-11(10)15-14(16)20/h4-6,8,17H,7H2,1-3H3/p-1