ethyl 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N3O4S/c1-2-24-17(23)10-27-19-21-14-6-4-3-5-13(14)18(22-19)20-12-7-8-15-16(9-12)26-11-25-15/h3-9H,2,10-11H2,1H3,(H,20,21,22)