ethyl 2-(4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-allyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate Traditional Name: 2-[(3-allyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetic acid ethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C24H28N2O3S/c1-3-14-26-22(28)20-21(25-23(26)30-16-19(27)29-4-2)18-11-7-6-10-17(18)15-24(20)12-8-5-9-13-24/h3,6-7,10-11H,1,4-5,8-9,12-16H2,2H3