3-[4-[3-[[2-ethoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-[4-[3-[[2-ethoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: 3-[4-[3-[(2-ethoxy-3,4-dioxo-cyclobuten-1-yl)amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[4-[3-[(2-ethoxy-3,4-dioxo-1-cyclobutenyl)amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate IUPAC Name: 3-[4-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[4-[3-[(2-ethoxy-3,4-diketo-cyclobuten-1-yl)amino]phenyl]phenyl]-2-(mesitylsulfonylamino)propionate Formula: C30H29N2O7S- MolecularWeight: 561.62546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)[O-])NS(=O)(=O)C4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCOC1=C(C(=O)C1=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)[O-])NS(=O)(=O)C4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C30H30N2O7S/c1-5-39-28-25(26(33)27(28)34)31-23-8-6-7-22(16-23)21-11-9-20(10-12-21)15-24(30(35)36)32-40(37,38)29-18(3)13-17(2)14-19(29)4/h6-14,16,24,31-32H,5,15H2,1-4H3,(H,35,36)/p-1