2-(4-chlorophenyl)sulfanylethyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 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 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 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 2-[(4-chlorophenyl)thio]ethyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCCSC4=CC=C(C=C4)Cl)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCCSC4=CC=C(C=C4)Cl)C(=O)N2C1

InChI

InChI=1S/C20H17ClN2O3S/c21-14-4-6-15(7-5-14)27-11-10-26-20(25)13-3-8-16-17(12-13)22-18-2-1-9-23(18)19(16)24/h3-8,12H,1-2,9-11H2