(4-oxidanylidene-4-thiophen-2-yl-butyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCCCC(=O)C4=CC=CS4)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCCCC(=O)C4=CC=CS4)C(=O)N2C1

InChI

InChI=1S/C20H18N2O4S/c23-16(17-5-3-11-27-17)4-2-10-26-20(25)13-7-8-14-15(12-13)21-18-6-1-9-22(18)19(14)24/h3,5,7-8,11-12H,1-2,4,6,9-10H2