methyl 3-[(1S)-1-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]-2-methoxy-2-oxidanylidene-ethyl]benzoate

Systemtic Name: methyl 3-[(1S)-1-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]-2-methoxy-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 3-[(1S)-1-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]-2-methoxy-2-oxo-ethyl]benzoate CAS Name: 3-[(1S)-1-[[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)thio]phenyl]-oxomethyl]amino]-2-methoxy-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1S)-1-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]-2-methoxy-2-oxoethyl]benzoate Traditional Name: 3-[(1S)-1-[[4-[(2-amino-4-keto-6-methyl-1H-quinazolin-5-yl)thio]benzoyl]amino]-2-keto-2-methoxy-ethyl]benzoic acid methyl ester Formula: C27H24N4O6S MolecularWeight: 532.56766

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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)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)C(=O)OC

InChI

InChI=1S/C27H24N4O6S/c1-14-7-12-19-20(24(33)31-27(28)29-19)22(14)38-18-10-8-15(9-11-18)23(32)30-21(26(35)37-3)16-5-4-6-17(13-16)25(34)36-2/h4-13,21H,1-3H3,(H,30,32)(H3,28,29,31,33)/t21-/m0/s1