methyl 2-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O5S/c1-28-21(27)12-6-7-13-15(10-12)22-17(24-20(13)26)11-29-19(25)9-8-18-23-14-4-2-3-5-16(14)30-18/h2-7,10H,8-9,11H2,1H3,(H,22,24,26)