methyl (2S)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)thio]phenyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-6-methyl-1H-quinazolin-5-yl)thio]benzoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)NC(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H22N4O4S/c1-14-8-13-18-19(23(31)29-25(26)27-18)21(14)34-17-11-9-16(10-12-17)22(30)28-20(24(32)33-2)15-6-4-3-5-7-15/h3-13,20H,1-2H3,(H,28,30)(H3,26,27,29,31)/t20-/m0/s1