7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N(C)CC3=CC4=C(C=C3)OCCO4)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N(C)CC3=CC4=C(C=C3)OCCO4)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-3-24-20(26)15-6-5-14(11-16(15)22-21(24)29)19(25)23(2)12-13-4-7-17-18(10-13)28-9-8-27-17/h4-7,10-11,26H,3,8-9,12H2,1-2H3/p-1