3-butyl-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)OC)[O-]

Isomeric SMILES

CCCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)OC)[O-]

InChI

InChI=1S/C14H16N2O3S/c1-3-4-7-16-12(17)10-6-5-9(13(18)19-2)8-11(10)15-14(16)20/h5-6,8,17H,3-4,7H2,1-2H3/p-1