ethyl 2-[(5-cyclopentyl-4-oxidanylidene-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-cyclopentyl-4-oxidanylidene-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyclopentyl-4-keto-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4

InChI

InChI=1S/C21H24N2O3S/c1-2-26-17(24)12-27-21-22-19-15-10-6-5-9-14(15)11-16(13-7-3-4-8-13)18(19)20(25)23-21/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3,(H,22,23,25)