6-chloranyl-3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 6-chloro-3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 6-chloro-3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 6-chloro-3-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]quinazolin-4-one Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-13-8-9-24(17-4-2-3-5-18(17)27-13)19(25)11-23-12-22-16-7-6-14(21)10-15(16)20(23)26/h2-7,10,12-13H,8-9,11H2,1H3/t13-/m0/s1