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

Systemtic Name: methyl 2-[(5-cyclopentyl-4-oxidanylidene-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate hydrochloride Openeye Name: methyl 2-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]acetate hydrochloride CAS Name: 2-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)thio]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(5-cyclopentyl-4-oxo-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)sulfanyl]acetate hydrochloride Traditional Name: 2-[(5-cyclopentyl-4-keto-5,6-dihydro-1H-benzo[h]quinazolin-2-yl)thio]acetic acid methyl ester hydrochloride Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4.Cl

Isomeric SMILES

COC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4.Cl

InChI

InChI=1S/C20H22N2O3S.ClH/c1-25-16(23)11-26-20-21-18-14-9-5-4-8-13(14)10-15(12-6-2-3-7-12)17(18)19(24)22-20;/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,21,22,24);1H