butyl (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)sulfonylamino]phenyl]carbonylamino]pent-4-enoate

Systemtic Name: butyl (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)sulfonylamino]phenyl]carbonylamino]pent-4-enoate Openeye Name: butyl (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)sulfonylamino]benzoyl]amino]pent-4-enoate CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)sulfonylamino]phenyl]-oxomethyl]amino]-4-pentenoic acid butyl ester IUPAC Name: butyl (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)sulfonylamino]benzoyl]amino]pent-4-enoate Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)sulfonylamino]benzoyl]amino]pent-4-enoic acid butyl ester Formula: C24H27N5O6S MolecularWeight: 513.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC=C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CCCCOC(=O)[C@H](CC=C)NC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C24H27N5O6S/c1-3-5-13-35-23(32)20(6-4-2)26-21(30)15-7-9-16(10-8-15)29-36(33,34)17-11-12-19-18(14-17)22(31)28-24(25)27-19/h4,7-12,14,20,29H,2-3,5-6,13H2,1H3,(H,26,30)(H3,25,27,28,31)/t20-/m0/s1