2-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-3-ethyl-quinazolin-4-one Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C21H23N3O3S/c1-6-24-20(27)15-9-7-8-10-16(15)23-21(24)28-14(5)19(26)18-11(2)17(13(4)25)12(3)22-18/h7-10,14,22H,6H2,1-5H3/t14-/m1/s1