ethyl 4-[2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(1,3-benzodioxol-5-yl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(1,3-benzodioxol-5-yl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(1,3-benzodioxol-5-yl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H21N3O6S MolecularWeight: 503.52644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O6S/c1-2-33-25(32)16-7-9-17(10-8-16)27-23(30)14-36-26-28-20-6-4-3-5-19(20)24(31)29(26)18-11-12-21-22(13-18)35-15-34-21/h3-13H,2,14-15H2,1H3,(H,27,30)