6-[(2S)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C27H23N3O4S/c1-15-7-6-8-16(2)24(15)30-26(33)19-9-4-5-10-20(19)29-27(30)35-17(3)25(32)18-11-12-22-21(13-18)28-23(31)14-34-22/h4-13,17H,14H2,1-3H3,(H,28,31)/t17-/m0/s1