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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=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)22-19(17-10-6-5-7-11-17)15-35-25(22)29-23(31)16(2)30(3)14-21-27-20-13-9-8-12-18(20)24(32)28-21/h5-13,15-16H,4,14H2,1-3H3,(H,29,31)(H,27,28,32)