methyl 4-[2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[[2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetyl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CN(C(=C4)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CN(C(=C4)C(=O)OC)C

InChI

InChI=1S/C25H24N4O5S/c1-4-34-18-11-9-17(10-12-18)29-23(31)19-7-5-6-8-20(19)27-25(29)35-15-22(30)26-16-13-21(24(32)33-3)28(2)14-16/h5-14H,4,15H2,1-3H3,(H,26,30)