ethyl 3-[2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[2-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]propanoylamino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C(C)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C(C)N(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C26H26N4O4S/c1-4-34-26(33)23-20(14-21(35-23)17-10-6-5-7-11-17)28-24(31)16(2)30(3)15-22-27-19-13-9-8-12-18(19)25(32)29-22/h5-14,16H,4,15H2,1-3H3,(H,28,31)(H,27,29,32)