(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)SCC(=O)N

InChI

InChI=1S/C18H14ClN3O4S/c19-10-5-6-13-12(7-10)17(24)22-16(21-13)8-26-18(25)11-3-1-2-4-14(11)27-9-15(20)23/h1-7H,8-9H2,(H2,20,23)(H,21,22,24)