(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H16ClN3O3S2 MolecularWeight: 457.95304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O3S2/c1-12-10-29-21(23-12)30-11-13-4-2-3-5-15(13)20(27)28-9-18-24-17-8-14(22)6-7-16(17)19(26)25-18/h2-8,10H,9,11H2,1H3,(H,24,25,26)