7-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]amino]-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C22H22N3O4S- MolecularWeight: 424.49278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C=C4CC(OC4=C3)C)OCC)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C=C4C[C@@H](OC4=C3)C)OCC)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-4-25-21(27)15-7-6-13(9-16(15)24-22(25)30)20(26)23-17-11-18-14(8-12(3)29-18)10-19(17)28-5-2/h6-7,9-12,27H,4-5,8H2,1-3H3,(H,23,26)/p-1/t12-/m0/s1