(2S)-2-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-3-phenyl-propionate Formula: C25H19ClN3O4S- MolecularWeight: 492.95406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H20ClN3O4S/c26-17-9-6-10-18(14-17)29-23(31)19-11-4-5-12-20(19)28-25(29)34-15-22(30)27-21(24(32)33)13-16-7-2-1-3-8-16/h1-12,14,21H,13,15H2,(H,27,30)(H,32,33)/p-1/t21-/m0/s1