ethyl 3-[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[oxo-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-6-yl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCC5=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCC5=N4

InChI

InChI=1S/C25H21N3O4S/c1-2-32-25(31)22-19(14-20(33-22)15-7-4-3-5-8-15)27-23(29)16-10-11-17-18(13-16)26-21-9-6-12-28(21)24(17)30/h3-5,7-8,10-11,13-14H,2,6,9,12H2,1H3,(H,27,29)