2-[(4,4-dimethyl-3-oxidanylidene-2-propan-2-ylsulfanyl-cyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate

Systemtic Name: 2-[(4,4-dimethyl-3-oxidanylidene-2-propan-2-ylsulfanyl-cyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate Openeye Name: 2-[(2-isopropylsulfanyl-4,4-dimethyl-3-oxo-cyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate CAS Name: 2-[[4,4-dimethyl-3-oxo-2-(propan-2-ylthio)-1-cyclobutenyl]amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate IUPAC Name: 2-[(4,4-dimethyl-3-oxo-2-propan-2-ylsulfanylcyclobuten-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate Traditional Name: 2-[[2-(isopropylthio)-3-keto-4,4-dimethyl-cyclobuten-1-yl]amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propionate Formula: C26H27N4O3S- MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(C1=O)(C)C)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=NC=C4)C(=O)[O-]

Isomeric SMILES

CC(C)SC1=C(C(C1=O)(C)C)NC(CC2=CC=C(C=C2)NC3=NC=CC4=C3C=NC=C4)C(=O)[O-]

InChI

InChI=1S/C26H28N4O3S/c1-15(2)34-21-22(26(3,4)23(21)31)30-20(25(32)33)13-16-5-7-18(8-6-16)29-24-19-14-27-11-9-17(19)10-12-28-24/h5-12,14-15,20,30H,13H2,1-4H3,(H,28,29)(H,32,33)/p-1