methyl (2S)-2-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-bis(oxidanylidene)quinazolin-3-yl]propanoate

Systemtic Name: methyl (2S)-2-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-bis(oxidanylidene)quinazolin-3-yl]propanoate Openeye Name: methyl (2S)-2-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-dioxo-quinazolin-3-yl]propanoate CAS Name: (2S)-2-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-dioxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-dioxoquinazolin-3-yl]propanoate Traditional Name: (2S)-2-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-diketo-quinazolin-3-yl]propionic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SN=C2CN3C4=CC=CC=C4C(=O)N(C3=O)C(C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SN=C2CN3C4=CC=CC=C4C(=O)N(C3=O)[C@@H](C)C(=O)OC)C

InChI

InChI=1S/C22H21N3O4S/c1-12-9-13(2)19-16(23-30-18(19)10-12)11-24-17-8-6-5-7-15(17)20(26)25(22(24)28)14(3)21(27)29-4/h5-10,14H,11H2,1-4H3/t14-/m0/s1