diethyl 2-[[5-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]thiophen-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[5-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[5-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]thiophene-2-carbonyl]amino]pentanedioate CAS Name: 2-[[[5-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]thiophene-2-carbonyl]amino]pentanedioate Traditional Name: 2-[[5-[(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)methylamino]thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C28H30N4O6S MolecularWeight: 550.626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(S1)NCC2=CC3=C(C=C2)C=CC4=C3C(=O)N=C(N4)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(S1)NCC2=CC3=C(C=C2)C=CC4=C3C(=O)N=C(N4)C

InChI

InChI=1S/C28H30N4O6S/c1-4-37-24(33)13-10-21(28(36)38-5-2)32-26(34)22-11-12-23(39-22)29-15-17-6-7-18-8-9-20-25(19(18)14-17)27(35)31-16(3)30-20/h6-9,11-12,14,21,29H,4-5,10,13,15H2,1-3H3,(H,32,34)(H,30,31,35)