ethyl 2-[(5-ethyl-5-methyl-4-oxidanylidene-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-ethyl-5-methyl-4-oxidanylidene-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-ethyl-5-methyl-4-oxo-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-5-methyl-4-oxo-3-phenethyl-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-ethyl-5-methyl-4-oxo-3-phenethyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethyl-4-keto-5-methyl-3-phenethyl-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)CCC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)OCC)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O3S/c1-4-27(3)17-20-13-9-10-14-21(20)24-23(27)25(31)29(16-15-19-11-7-6-8-12-19)26(28-24)33-18-22(30)32-5-2/h6-14H,4-5,15-18H2,1-3H3