(3-chloranyl-1-benzothiophen-2-yl)methyl 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-(8-methyl-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)propanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-keto-8-methyl-quinazolin-3-yl)propionic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-13-5-4-7-15-20(13)23-12-24(21(15)26)10-9-18(25)27-11-17-19(22)14-6-2-3-8-16(14)28-17/h2-8,12H,9-11H2,1H3