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

Systemtic Name: ethyl 2-[[5,5-diethyl-4-oxidanylidene-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[[5,5-diethyl-4-oxo-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-5,5-diethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-benzyl-5,5-diethyl-4-keto-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)OCC)CC4=CC=CC=C4)CC

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)OCC)CC4=CC=CC=C4)CC

InChI

InChI=1S/C27H30N2O3S/c1-4-27(5-2)16-20-14-10-11-15-21(20)24-23(27)25(31)29(17-19-12-8-7-9-13-19)26(28-24)33-18-22(30)32-6-3/h7-15H,4-6,16-18H2,1-3H3