ethyl 2-[(5,5-dimethyl-4-oxidanylidene-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5,5-dimethyl-4-oxidanylidene-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-allyl-5,5-dimethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5,5-dimethyl-4-oxo-3-prop-2-enyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-allyl-4-keto-5,5-dimethyl-6H-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=NC2=C(C(=O)N1CC=C)C(CC3=CC=CC=C32)(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1CC=C)C(CC3=CC=CC=C32)(C)C

InChI

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