methyl 2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(naphthalen-2-ylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-naphthylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(2-naphthalenylthio)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(naphthalen-2-ylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-naphthylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16N2O3S/c1-26-21(25)15-7-9-17-18(11-15)22-19(23-20(17)24)12-27-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,22,23,24)