7-methoxycarbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-carbomethoxy-2-thioxo-quinazolin-4-olate Formula: C13H11N2O3S- MolecularWeight: 275.30304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c1-3-6-15-11(16)9-5-4-8(12(17)18-2)7-10(9)14-13(15)19/h3-5,7,16H,1,6H2,2H3/p-1