methyl 3-[(5-cyclopentyl-4-oxidanylidene-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(5-cyclopentyl-4-oxidanylidene-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]propanoate CAS Name: 3-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-cyclopentyl-4-keto-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)thio]propionic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4

Isomeric SMILES

COC(=O)CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4

InChI

InChI=1S/C21H24N2O3S/c1-26-17(24)10-11-27-21-22-19-15-9-5-4-8-14(15)12-16(13-6-2-3-7-13)18(19)20(25)23-21/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,22,23,25)