2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCOC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCOC)C

InChI

InChI=1S/C23H22N2O4S/c1-14-10-18-16(12-21(26)29-20(18)11-15(14)2)13-30-23-24-19-7-5-4-6-17(19)22(27)25(23)8-9-28-3/h4-7,10-12H,8-9,13H2,1-3H3