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

Systemtic Name: 7-methoxycarbonyl-3-(phenylmethyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-benzyl-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-(phenylmethyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-benzyl-7-methoxycarbonyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-benzyl-7-carbomethoxy-2-thioxo-quinazolin-4-olate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S/c1-22-16(21)12-7-8-13-14(9-12)18-17(23)19(15(13)20)10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3/p-1